*HEADER    DE NOVO PROTEIN                         20-AUG-15   2N6H              
*TITLE     NMR STRUCTURE FOR A 2-STRANDED PARALLEL BETA-SHEET                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DESIGNED 2-STRANDED PARALLEL BETA-SHEET;                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    DE NOVO PROTEIN                                                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    V.M.KUNG, G.CORNILESCU, S.H.GELLMAN                                   
*REVDAT   2   15-NOV-23 2N6H    1                                                
*REVDAT   1   28-OCT-15 2N6H    0                                                


!! VMK-II-117-2stranddiN peptide, last edit 8/11/14 VMKung

!! Between middle strand & bottom strand:

assign ( resid 9  and name O ) ( resid 7  and name HAI ) 1.9 0.4 0.6
assign ( resid 9  and name O ) ( resid 7  and name NAC  ) 2.9 0.5 0.7

assign ( resid 5  and name O ) ( resid 9  and name HN ) 1.9 0.4 0.6
assign ( resid 5  and name O ) ( resid 9  and name N  ) 2.9 0.5 0.7

assign ( resid 11  and name O ) ( resid 5  and name HN ) 1.9 0.4 0.6
assign ( resid 11  and name O ) ( resid 5  and name N  ) 2.9 0.5 0.7

assign ( resid 3  and name O ) ( resid 11  and name HN ) 1.9 0.4 0.6
assign ( resid 3  and name O ) ( resid 11  and name N  ) 2.9 0.5 0.7

assign ( resid 1  and name O ) ( resid 13  and name HN ) 1.9 0.4 0.6
assign ( resid 1  and name O ) ( resid 13  and name N  ) 2.9 0.5 0.7

assign ( resid 15  and name O ) ( resid 1  and name HN ) 1.9 0.4 0.6
assign ( resid 15  and name O ) ( resid 1  and name N  ) 2.9 0.5 0.7!VMK-II-117-2stranddiN peptide, last edited 12/30/2014 VMKung

!Bottom Strand:

assign (resid  3 and name  C) (resid  4 and name  N)
       (resid  4 and name CA) (resid  4 and name  C) 1.0  -145.0    35.00 2
assign (resid  4 and name  N) (resid  4 and name CA)
       (resid  4 and name  C) (resid  5 and name  N) 1.0   135.00    45.00 2

assign (resid  5 and name  C) (resid  6 and name  N)
       (resid  6 and name CA) (resid  6 and name  C) 1.0  -145.0    35.00 2
assign (resid  6 and name  N) (resid  6 and name CA)
       (resid  6 and name  C) (resid  7 and name  NAC) 1.0   135.00    45.00 2

!Middle Strand:

assign (resid 11 and name  C) (resid 10 and name  N)
       (resid 10 and name CA) (resid 10 and name  C) 1.0  -145.0    35.00 2
assign (resid 10 and name  N) (resid 10 and name CA)
       (resid 10 and name  C) (resid 9 and name  N) 1.0   135.00    45.00 2

assign (resid 10 and name  C) (resid 9 and name  N)
       (resid 9 and name CA) (resid 9 and name  C) 1.0  -145.0    35.00 2
assign (resid 9 and name  N) (resid 9 and name CA)
       (resid 9 and name  C) (resid 8 and name  N) 1.0   135.00    45.00 2!VMK-II-117-2stranddiN-NOEs-height-renum-sq, edited VMK 02/25/15

!intra-residue or sequential (Ha-HN) ROE's

assign (resid   1 and name HA  ) (resid   1 and name HB#  )  2.7  0.9  0.9
assign (resid   1 and name HA  ) (resid   1 and (name HG1 or name HG2  )) 2.7  0.9  0.9
assign (resid   1 and name HA  ) (resid   1 and (name HG2 or name HG1  )) 2.8  1.0  1.0
assign (resid   1 and name HA  ) (resid   1 and name HN  )  2.2  0.8  0.8
assign (resid   1 and name HB#  ) (resid   1 and (name HG1 or name HG2  )) 2.1  0.7  0.7
assign (resid   1 and name HB#  ) (resid   1 and (name HG2 or name HG1  )) 2.2  0.8  0.8
assign (resid   1 and name HB#  ) (resid   1 and name HN  )  2.3  0.8  0.8
assign (resid   1 and (name HG1 or name HG2  )) (resid   1 and name HN  )  2.8  1.0  1.0
assign (resid   1 and (name HG2 or name HG1  )) (resid   1 and name HN  )  3.1  1.1  1.1
assign (resid   2 and name HA  ) (resid   2 and (name HB1 or name HB2  )) 2.9  1.0  1.0
assign (resid   2 and name HA  ) (resid   2 and name HD#  )  5.0  1.8  1.8
assign (resid   2 and name HA  ) (resid   2 and name HE  )  2.9  1.1  2.1
assign (resid   2 and name HA  ) (resid   2 and name HN  )  2.7  1.0  1.0
assign (resid   2 and name HA  ) (resid   3 and name HN  )  2.2  0.8  0.8
assign (resid   2 and (name HB1 or name HB2  )) (resid   2 and name HE  )  2.4  0.9  0.9
assign (resid   2 and (name HB1 or name HB2  )) (resid   2 and name HN  )  2.4  0.8  0.8
assign (resid   2 and (name HB2 or name HB1  )) (resid   2 and name HN  )  2.5  0.9  0.9
assign (resid   2 and name HD#  ) (resid   2 and name HN  )  3.0  1.2  2.0
assign (resid   2 and name HE  ) (resid   2 and name HG#  )  2.2  0.8  0.8
assign (resid   2 and name HG#  ) (resid   2 and name HN  )  2.7  1.0  1.0
assign (resid   3 and name HA  ) (resid   3 and (name HB1 or name HB2  )) 2.7  1.0  1.0
assign (resid   3 and name HA  ) (resid   3 and name HN  )  2.9  1.0  1.0
assign (resid   3 and name HA  ) (resid   4 and name HN  )  2.3  0.8  0.8
assign (resid   3 and (name HB1 or name HB2  )) (resid   3 and name HN  )  2.9  1.0  1.0
assign (resid   3 and (name HB2 or name HB1  )) (resid   3 and name HN  )  2.9  1.0  1.0
assign (resid   3 and name HD#  ) (resid   3 and name HE#  )  2.1  0.7  0.7
assign (resid   4 and name HA  ) (resid   4 and (name HB1 or name HB2  )) 3.2  1.1  1.1
assign (resid   4 and name HA  ) (resid   4 and name HD#  )  2.5  0.9  0.9
assign (resid   4 and name HA  ) (resid   4 and name HN  )  2.9  1.0  1.0
assign (resid   4 and name HA  ) (resid   5 and name HN  )  2.2  0.8  0.8
assign (resid   4 and (name HB1 or name HB2  )) (resid   4 and name HD#  )  2.5  0.9  0.9
assign (resid   4 and (name HB1 or name HB2  )) (resid   4 and name HN  )  2.8  1.0  1.0
assign (resid   4 and (name HB2 or name HB1  )) (resid   4 and name HD#  )  2.4  0.8  0.8
assign (resid   4 and (name HB2 or name HB1  )) (resid   4 and name HE#  )  2.7  0.9  0.9
assign (resid   4 and (name HB2 or name HB1  )) (resid   4 and name HN  )  3.0  1.1  1.1
assign (resid   4 and name HD#  ) (resid   4 and name HE#  )  1.9  0.7  0.7
assign (resid   5 and name HA  ) (resid   5 and name HB#  )  4.1  1.9  1.4
assign (resid   5 and name HA  ) (resid   5 and name HN  )  2.7  1.0  1.0
assign (resid   5 and name HA  ) (resid   6 and name HN  )  2.2  0.8  0.8
assign (resid   5 and name HB#  ) (resid   5 and name HG#  )  2.0  0.7  0.7
assign (resid   5 and name HB#  ) (resid   5 and name HN  )  2.3  0.8  0.8
assign (resid   6 and name HA  ) (resid   6 and name HN  )  2.9  1.0  1.0
assign (resid   6 and name HA  ) (resid   7 and name HAI  )  2.3  0.8  0.8
assign (resid   6 and (name HB1 or name HB2  )) (resid   6 and name HE#  )  4.7  2.9  1.6
assign (resid   6 and (name HB1 or name HB2  )) (resid   6 and name HZ#  )  3.1  1.1  1.1
assign (resid   6 and (name HB2 or name HB1  )) (resid   6 and name HN  )  3.1  1.1  1.1
assign (resid   6 and name HD#  ) (resid   6 and name HE#  )  5.0  3.2  1.8
assign (resid   6 and name HD#  ) (resid   6 and name HN  )  2.8  1.0  2.2
assign (resid   6 and name HE#  ) (resid   6 and (name HG2 or name HG1  )) 2.8  1.0  2.2
assign (resid   6 and (name HG1 or name HG2  )) (resid   6 and name HN  )  3.1  1.1  1.1
assign (resid   6 and (name HG2 or name HG1  )) (resid   6 and name HZ#  )  2.8  1.0  1.0
assign (resid   7 and (name HAG or name HAH  )) (resid 7 and (name HAD or name HAE or name HAF ))  2.6  0.9  0.9
assign (resid   7 and (name HAH or name HAG  )) (resid 7 and (name HAA or name HAB or name HAC ))  2.5  0.9  0.9
assign (resid   7 and (name HAH or name HAG  )) (resid   7 and name HAI  )  2.7  0.9  0.9
assign (resid   8 and name HA  ) (resid   8 and (name HB1 or name HB2  )) 3.4  1.2  1.2
assign (resid   8 and name HA  ) (resid   8 and (name HB2 or name HB1  )) 2.7  0.9  0.9
assign (resid   8 and name HA  ) (resid   8 and name HD#  )  4.4  1.6  1.6
assign (resid   8 and name HA  ) (resid   8 and name HG#  )  3.6  1.3  1.3
assign (resid   8 and (name HB1 or name HB2  )) (resid   8 and name HD#  )  3.0  1.1  1.1
assign (resid   8 and (name HB2 or name HB1  )) (resid   8 and name HD#  )  2.8  1.0  1.0
assign (resid   8 and name HD#  ) (resid   8 and name HG#  )  2.5  0.9  0.9
assign (resid   9 and name HA  ) (resid   9 and name HB  )  3.6  1.3  1.3
assign (resid   9 and name HA  ) (resid   9 and name HG*  )  2.6  0.9  0.9
assign (resid   9 and name HA  ) (resid   9 and name HN  )  2.8  1.0  1.0
assign (resid   9 and name HB  ) (resid   9 and name HG*  )  2.4  0.8  0.8
assign (resid   9 and name HB  ) (resid   9 and name HN  )  2.4  0.8  2.6
assign (resid   9 and name HG*  ) (resid   9 and name HN  )  2.4  0.9  0.9
assign (resid  10 and name HA  ) (resid  10 and name HB#  )  3.6  1.3  1.3
assign (resid  10 and name HA  ) (resid  10 and name HN  )  2.2  0.8  0.8
assign (resid  10 and name HB#  ) (resid  10 and name HG#  )  1.9  0.7  0.7
assign (resid  10 and name HB#  ) (resid  10 and name HN  )  2.6  0.9  0.9
assign (resid  10 and name HG#  ) (resid  10 and name HN  )  2.5  0.9  2.5
assign (resid  10 and name HN  ) (resid  11 and name HA  )  2.2  0.8  0.8
assign (resid  11 and name HA  ) (resid  11 and name HD#  )  2.7  1.0  2.3
assign (resid  11 and name HA  ) (resid  11 and name HG#  )  2.7  0.9  0.9
assign (resid  11 and name HA  ) (resid  11 and name HN  )  2.7  1.0  1.0
assign (resid  11 and name HB#  ) (resid  11 and name HN  )  2.7  0.9  0.9
assign (resid  11 and name HD#  ) (resid  11 and name HE#  )  2.8  1.0  1.0
assign (resid  11 and name HD#  ) (resid  11 and name HN  )  2.4  0.8  2.6
assign (resid  11 and name HD#  ) (resid  11 and name HZ#  )  2.7  1.0  1.0
assign (resid  11 and name HE#  ) (resid  11 and name HG#  )  2.9  1.0  1.0
assign (resid  11 and name HE#  ) (resid  11 and name HZ#  )  2.3  0.8  0.8
assign (resid  11 and name HG#  ) (resid  11 and name HN  )  2.8  1.0  1.0
assign (resid  11 and name HG#  ) (resid  11 and name HZ#  )  2.9  1.0  1.0
assign (resid  11 and name HN  ) (resid  12 and name HA  )  2.2  0.8  0.8
assign (resid  12 and name HA  ) (resid  12 and (name HB1 or name HB2  )) 3.8  1.3  1.3
assign (resid  12 and name HA  ) (resid  12 and name HD#  )  2.5  0.9  0.9
assign (resid  12 and name HA  ) (resid  12 and name HE#  )  2.6  0.9  2.4
assign (resid  12 and name HA  ) (resid  12 and name HN  )  2.9  1.0  1.0
assign (resid  12 and (name HB1 or name HB2  )) (resid  12 and name HD#  )  2.5  0.9  0.9
assign (resid  12 and (name HB1 or name HB2  )) (resid  12 and name HN  )  2.8  1.0  1.0
assign (resid  12 and (name HB2 or name HB1  )) (resid  12 and name HD#  )  2.5  0.9  0.9
assign (resid  12 and (name HB2 or name HB1  )) (resid  12 and name HN  )  2.8  1.0  1.0
assign (resid  12 and name HD#  ) (resid  12 and name HE#  )  1.9  0.7  0.7
assign (resid  12 and name HN  ) (resid  13 and name HA  )  2.2  0.8  0.8
assign (resid  13 and name HA  ) (resid  13 and name HB  )  2.9  1.0  1.0
assign (resid  13 and name HA  ) (resid  13 and name HD*  )  3.0  1.0  1.0
assign (resid  13 and name HA  ) (resid  13 and (name HG11 or name HG12  )) 2.4  0.8  0.8
assign (resid  13 and name HA  ) (resid  13 and name HN  )  2.4  0.8  0.8
assign (resid  13 and name HB  ) (resid  13 and name HD*  )  2.6  0.9  0.9
assign (resid  13 and name HB  ) (resid  13 and (name HG11 or name HG12  )) 2.5  0.9  0.9
assign (resid  13 and name HB  ) (resid  13 and (name HG2# or name HG1#  )) 3.1  1.1  1.1
assign (resid  13 and name HB  ) (resid  13 and name HN  )  2.5  0.9  2.5
assign (resid  13 and name HD*  ) (resid  13 and (name HG11 or name HG12  )) 2.0  0.7  0.7
assign (resid  13 and name HD*  ) (resid  13 and (name HG12 or name HG11  )) 2.3  0.8  0.8
assign (resid  13 and name HD*  ) (resid  13 and name HN  )  2.8  1.0  2.2
assign (resid  13 and (name HG11 or name HG12  )) (resid  13 and name HN  )  2.6  0.9  2.4
assign (resid  13 and name HN  ) (resid  14 and name HA  )  2.2  0.8  0.8
assign (resid  14 and name HA  ) (resid  14 and (name HB1 or name HB2  )) 2.8  1.0  1.0
assign (resid  14 and name HA  ) (resid  14 and (name HB2 or name HB1  )) 2.7  1.0  1.0
assign (resid  14 and name HA  ) (resid  14 and name HD#  )  3.5  1.2  1.2
assign (resid  14 and name HA  ) (resid  14 and name HE  )  2.8  1.0  2.2
assign (resid  14 and name HA  ) (resid  14 and name HN  )  2.6  0.9  0.9
assign (resid  14 and (name HB1 or name HB2  )) (resid  14 and name HD#  )  2.4  0.8  0.8
assign (resid  14 and (name HB1 or name HB2  )) (resid  14 and name HN  )  2.7  1.0  1.0
assign (resid  14 and (name HB2 or name HB1  )) (resid  14 and name HD#  )  2.5  0.9  0.9
assign (resid  14 and (name HB2 or name HB1  )) (resid  14 and name HE  )  2.5  0.9  2.5
assign (resid  14 and (name HB2 or name HB1  )) (resid  14 and name HN  )  2.2  0.8  0.8
assign (resid  14 and name HD#  ) (resid  14 and name HE  )  2.2  0.8  0.8
assign (resid  14 and name HD#  ) (resid  14 and name HG#  )  2.3  0.8  0.8
assign (resid  14 and name HD#  ) (resid  14 and name HN  )  3.0  1.2  2.0
assign (resid  14 and name HG#  ) (resid  14 and name HN  )  3.2  1.1  1.1

!long-distance ROE's

assign (resid 2 and (name HB1 or name HB2 )) (resid 4 and name HE# ) 3.0 1.0 1.0
assign (resid 14 and name HG# ) (resid 13 and name HN ) 2.5 1.0 1.0
assign (resid   3 and name HA  ) (resid  2 and name HE  )  2.6  0.9  2.4
assign (resid 3 and (name HB1 or name HB2 )) (resid 12 and name HE# ) 2.5 1.0 1.0
assign (resid 3 and (name HB1 or name HB2 )) (resid 14 and name HE ) 2.5 0.9 2.1
assign (resid 3 and (name HB2 or name HB1 )) (resid 12 and name HE# ) 2.6 1.0 1.0
assign (resid 3 and name HE# ) (resid 10 and name HG# ) 3.0 1.2 2.0
assign (resid 3 and name HE# ) (resid 12 and name HD# ) 3.2 1.0 1.0
assign (resid 4 and name HE# ) (resid 7 and (name HAA or name HAB or name HAC or name HAD or name HAE or name HAF )) 3.6 1.8 2.0
assign (resid 4 and name HE# ) (resid 9 and name HG* ) 2.4 0.8 2.6
assign (resid 6 and (name HG1 or name HG2 )) (resid 9 and name HB ) 2.3 0.8 1.9
assign (resid 8 and name HD# ) (resid 9 and name HA ) 2.5 1.0 1.0
assign (resid 14 and (name HB1 or name HB2 )) (resid 12 and name HE# ) 3.1 1.0 1.0
assign (resid 12 and name HZ ) (resid 14 and (name HB1 or name HB2 )) 2.3 0.8 1.5
assign (resid  1 and name HN  ) (resid  14 and name HA  )  1.7  1.0  3.3
assign (resid   2 and name HA  ) (resid  13 and name HN  )  1.3  1.0  3.7
assign (resid   4 and name HA  ) (resid  11 and name HN  )  2.1  1.0  2.9
assign (resid   6 and name HA  ) (resid  9 and name HN  )  1.3  1.0  3.7

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   0           HA2      ACE   0   2.809   0.647  -4.737
    2    H2   ACE   0           HA3      ACE   0   3.286   2.340  -4.879
    3    H3   ACE   0           HA1      ACE   0   3.444   1.505  -3.333
    4    H    GLU   1           HN       GLU   1   5.530   2.873  -4.853
    5    HA   GLU   1           HA       GLU   1   7.219   0.816  -6.008
    6    HB2  GLU   1           HB2      GLU   1   7.854   3.687  -5.287
    7    HB3  GLU   1           HB1      GLU   1   8.841   2.631  -6.288
    8    HG2  GLU   1           HG2      GLU   1   6.023   3.540  -6.949
    9    HG3  GLU   1           HG1      GLU   1   7.493   4.205  -7.648
   10    H    ARG   2           HN       ARG   2   8.795  -0.297  -5.034
   11    HA   ARG   2           HA       ARG   2   9.289   0.234  -2.167
   12    HB2  ARG   2           HB2      ARG   2   9.690  -2.283  -3.772
   13    HB3  ARG   2           HB1      ARG   2  10.126  -2.088  -2.075
   14    HG2  ARG   2           HG2      ARG   2   7.768  -1.592  -1.536
   15    HG3  ARG   2           HG1      ARG   2   7.340  -1.831  -3.237
   16    HD2  ARG   2           HD2      ARG   2   6.970  -3.895  -1.912
   17    HD3  ARG   2           HD1      ARG   2   8.206  -4.126  -3.150
   18    HE   ARG   2           HE       ARG   2   9.516  -3.278  -0.819
   19   HH11  ARG   2          HH21      ARG   2   7.615  -5.937  -1.978
   20   HH12  ARG   2          HH22      ARG   2   8.418  -7.119  -1.000
   21   HH21  ARG   2          HH11      ARG   2  10.570  -4.828   0.466
   22   HH22  ARG   2          HH12      ARG   2  10.092  -6.490   0.383
   23    H    PHE   3           HN       PHE   3  11.242   0.423  -1.337
   24    HA   PHE   3           HA       PHE   3  13.616  -0.250  -2.698
   25    HB2  PHE   3           HB2      PHE   3  13.210   1.802  -3.973
   26    HB3  PHE   3           HB1      PHE   3  13.025   2.722  -2.479
   27    HD1  PHE   3           HD1      PHE   3  15.460   0.356  -4.115
   28    HD2  PHE   3           HD2      PHE   3  14.917   3.776  -1.581
   29    HE1  PHE   3           HE1      PHE   3  17.920   0.596  -3.900
   30    HE2  PHE   3           HE2      PHE   3  17.374   4.032  -1.371
   31    HZ   PHE   3           HZ       PHE   3  18.878   2.437  -2.540
   32    H    TYR   4           HN       TYR   4  15.074  -0.715  -1.204
   33    HA   TYR   4           HA       TYR   4  15.448   0.936   1.121
   34    HB2  TYR   4           HB2      TYR   4  15.002  -0.762   2.798
   35    HB3  TYR   4           HB1      TYR   4  13.543  -0.519   1.844
   36    HD1  TYR   4           HD1      TYR   4  16.608  -2.656   2.031
   37    HD2  TYR   4           HD2      TYR   4  12.494  -2.362   0.851
   38    HE1  TYR   4           HE1      TYR   4  16.648  -5.017   1.392
   39    HE2  TYR   4           HE2      TYR   4  12.508  -4.755   0.233
   40    HH   TYR   4           HH       TYR   4  14.228  -6.893   1.159
   41    H    GLU   5           HN       GLU   5  17.417   0.257   2.279
   42    HA   GLU   5           HA       GLU   5  19.150  -1.475   0.570
   43    HB2  GLU   5           HB2      GLU   5  20.025   0.750   2.418
   44    HB3  GLU   5           HB1      GLU   5  21.052  -0.197   1.360
   45    HG2  GLU   5           HG2      GLU   5  18.835   1.656   0.438
   46    HG3  GLU   5           HG1      GLU   5  20.551   2.033   0.401
   47    H    LYS   6           HN       LYS   6  19.829  -3.287   1.438
   48    HA   LYS   6           HA       LYS   6  19.656  -3.647   4.381
   49    HB2  LYS   6           HB2      LYS   6  18.251  -5.197   3.062
   50    HB3  LYS   6           HB1      LYS   6  19.675  -5.726   2.170
   51    HG2  LYS   6           HG2      LYS   6  20.699  -6.525   4.271
   52    HG3  LYS   6           HG1      LYS   6  19.280  -5.985   5.168
   53    HD2  LYS   6           HD2      LYS   6  17.867  -7.530   3.865
   54    HD3  LYS   6           HD1      LYS   6  19.284  -8.068   2.963
   55    HE2  LYS   6           HE2      LYS   6  20.322  -8.861   5.056
   56    HE3  LYS   6           HE1      LYS   6  18.908  -8.322   5.962
   57    HZ1  LYS   6           HZ1      LYS   6  17.588  -9.808   4.438
   58    HZ2  LYS   6           HZ2      LYS   6  18.589 -10.596   5.562
   59    HZ3  LYS   6           HZ3      LYS   6  19.063 -10.473   3.935
   60    HAC  4G6   7           HAC      4G6   7  26.141  -2.528   5.085
   61    HAB  4G6   7           HAB      4G6   7  26.008  -3.446   3.567
   62    HAA  4G6   7           HAA      4G6   7  26.215  -1.679   3.522
   63    HAF  4G6   7           HAF      4G6   7  22.759  -2.399   2.530
   64    HAD  4G6   7           HAD      4G6   7  24.441  -2.453   1.945
   65    HAE  4G6   7           HAE      4G6   7  23.747  -0.922   2.535
   66    HAL  4G6   7           HAL      4G6   7  24.093  -0.300   4.699
   67    HAH  4G6   7           HAH      4G6   7  23.897  -3.916   5.516
   68    HAG  4G6   7           HAG      4G6   7  23.954  -4.438   3.819
   69    H    4G6   7           H          4G6   7  21.639  -2.973   5.047
   70    HA   DPR   8           HA       DPR   8  23.271  -0.295   8.032
   71    HB2  DPR   8           HB2      DPR   8  24.694   1.161   6.830
   72    HB3  DPR   8           HB1      DPR   8  23.624   1.163   5.410
   73    HG2  DPR   8           HG2      DPR   8  23.284   2.550   8.028
   74    HG3  DPR   8           HG1      DPR   8  22.840   3.092   6.399
   75    HD2  DPR   8           HD2      DPR   8  21.104   1.837   8.302
   76    HD3  DPR   8           HD1      DPR   8  20.732   2.182   6.598
   77    H    VAL   9           HN       VAL   9  18.800   0.098   4.556
   78    HA   VAL   9           HA       VAL   9  19.040   0.744   7.451
   79    HB   VAL   9           HB       VAL   9  18.300  -1.871   6.119
   80   HG11  VAL   9          HG11      VAL   9  19.409  -2.301   8.201
   81   HG12  VAL   9          HG12      VAL   9  17.679  -2.470   8.499
   82   HG13  VAL   9          HG13      VAL   9  18.523  -1.008   9.010
   83   HG21  VAL   9          HG21      VAL   9  16.428  -0.454   5.841
   84   HG22  VAL   9          HG22      VAL   9  16.665   0.316   7.412
   85   HG23  VAL   9          HG23      VAL   9  16.074  -1.344   7.322
   86    H    GLN  10           HN       GLN  10  16.527   3.515   4.721
   87    HA   GLN  10           HA       GLN  10  18.043   1.583   3.235
   88    HB2  GLN  10           HB2      GLN  10  20.201   2.843   3.369
   89    HB3  GLN  10           HB1      GLN  10  19.032   3.571   2.267
   90    HG2  GLN  10           HG2      GLN  10  18.371   5.161   4.011
   91    HG3  GLN  10           HG1      GLN  10  19.531   4.436   5.127
   92   HE21  GLN  10          HE21      GLN  10  19.183   7.032   3.083
   93   HE22  GLN  10          HE22      GLN  10  20.813   7.304   2.697
   94    H    LYS  11           HN       LYS  11  14.046   3.127   1.197
   95    HA   LYS  11           HA       LYS  11  15.065   5.104   3.133
   96    HB2  LYS  11           HB2      LYS  11  13.847   2.429   3.888
   97    HB3  LYS  11           HB1      LYS  11  14.664   3.550   4.975
   98    HG2  LYS  11           HG2      LYS  11  12.977   5.273   4.519
   99    HG3  LYS  11           HG1      LYS  11  12.185   4.214   3.359
  100    HD2  LYS  11           HD2      LYS  11  10.959   4.191   5.475
  101    HD3  LYS  11           HD1      LYS  11  11.673   2.612   5.179
  102    HE2  LYS  11           HE2      LYS  11  11.938   3.320   7.531
  103    HE3  LYS  11           HE1      LYS  11  13.500   3.128   6.759
  104    HZ1  LYS  11           HZ1      LYS  11  12.085   5.727   6.905
  105    HZ2  LYS  11           HZ2      LYS  11  13.715   5.452   6.513
  106    HZ3  LYS  11           HZ3      LYS  11  13.169   5.209   8.104
  107    H    PHE  12           HN       PHE  12  10.664   5.543  -0.290
  108    HA   PHE  12           HA       PHE  12  12.879   3.769  -0.435
  109    HB2  PHE  12           HB2      PHE  12  12.607   6.730  -0.938
  110    HB3  PHE  12           HB1      PHE  12  14.129   5.878  -1.154
  111    HD1  PHE  12           HD1      PHE  12  10.495   5.304  -2.059
  112    HD2  PHE  12           HD2      PHE  12  14.593   5.251  -3.352
  113    HE1  PHE  12           HE1      PHE  12   9.797   4.580  -4.332
  114    HE2  PHE  12           HE2      PHE  12  13.864   4.532  -5.607
  115    HZ   PHE  12           HZ       PHE  12  11.445   4.206  -6.072
  116    H    ILE  13           HN       ILE  13   8.678   3.558  -1.016
  117    HA   ILE  13           HA       ILE  13   8.888   5.091   1.451
  118    HB   ILE  13           HB       ILE  13   9.028   3.103   2.894
  119   HG12  ILE  13          HG12      ILE  13   9.510   1.400   1.190
  120   HG13  ILE  13          HG11      ILE  13   8.084   0.969   2.112
  121   HG21  ILE  13          HG21      ILE  13   6.948   4.501   2.617
  122   HG22  ILE  13          HG22      ILE  13   6.660   2.853   3.172
  123   HG23  ILE  13          HG23      ILE  13   6.353   3.281   1.492
  124   HD11  ILE  13          HD11      ILE  13   7.307   0.547  -0.016
  125   HD12  ILE  13          HD12      ILE  13   8.323   1.782  -0.748
  126   HD13  ILE  13          HD13      ILE  13   6.852   2.243   0.102
  127    H    ARG  14           HN       ARG  14   4.945   5.915  -1.203
  128    HA   ARG  14           HA       ARG  14   6.545   3.636  -2.133
  129    HB2  ARG  14           HB2      ARG  14   8.343   5.134  -2.869
  130    HB3  ARG  14           HB1      ARG  14   6.891   5.373  -3.828
  131    HG2  ARG  14           HG2      ARG  14   6.304   7.321  -2.415
  132    HG3  ARG  14           HG1      ARG  14   7.790   7.087  -1.494
  133    HD2  ARG  14           HD2      ARG  14   7.640   7.652  -4.468
  134    HD3  ARG  14           HD1      ARG  14   8.069   8.825  -3.229
  135    HE   ARG  14           HE       ARG  14   9.804   6.615  -2.993
  136   HH11  ARG  14          HH21      ARG  14   8.982   9.177  -5.168
  137   HH12  ARG  14          HH22      ARG  14  10.571   9.301  -5.846
  138   HH21  ARG  14          HH11      ARG  14  11.899   6.777  -3.879
  139   HH22  ARG  14          HH12      ARG  14  12.220   7.944  -5.117
  140    H1   ACE  15           HA2      ACE  15   2.245   5.030  -3.279
  141    H2   ACE  15           HA3      ACE  15   2.897   6.276  -2.216
  142    H3   ACE  15           HA1      ACE  15   2.303   4.762  -1.537
  Start of MODEL    2
    1    H1   ACE   0           HA2      ACE   0  10.522   4.072  -5.293
    2    H2   ACE   0           HA3      ACE   0   9.128   3.628  -6.279
    3    H3   ACE   0           HA1      ACE   0  10.535   2.570  -6.216
    4    H    GLU   1           HN       GLU   1   7.690   2.052  -5.534
    5    HA   GLU   1           HA       GLU   1   6.910   1.918  -2.975
    6    HB2  GLU   1           HB2      GLU   1   5.682   0.916  -4.835
    7    HB3  GLU   1           HB1      GLU   1   6.883  -0.368  -4.944
    8    HG2  GLU   1           HG2      GLU   1   4.896  -1.114  -3.704
    9    HG3  GLU   1           HG1      GLU   1   6.314  -1.106  -2.666
   10    H    ARG   2           HN       ARG   2   9.343  -0.258  -4.407
   11    HA   ARG   2           HA       ARG   2   9.683  -1.882  -2.217
   12    HB2  ARG   2           HB2      ARG   2  10.587  -2.241  -4.536
   13    HB3  ARG   2           HB1      ARG   2  11.795  -1.023  -4.199
   14    HG2  ARG   2           HG2      ARG   2  12.802  -3.177  -3.971
   15    HG3  ARG   2           HG1      ARG   2  12.664  -2.469  -2.375
   16    HD2  ARG   2           HD2      ARG   2  10.706  -4.483  -3.534
   17    HD3  ARG   2           HD1      ARG   2  12.022  -4.909  -2.464
   18    HE   ARG   2           HE       ARG   2  10.502  -2.960  -1.158
   19   HH11  ARG   2          HH21      ARG   2  10.193  -6.172  -2.404
   20   HH12  ARG   2          HH22      ARG   2   9.061  -6.679  -1.195
   21   HH21  ARG   2          HH11      ARG   2   9.018  -3.616   0.428
   22   HH22  ARG   2          HH12      ARG   2   8.395  -5.232   0.407
   23    H    PHE   3           HN       PHE   3  12.744  -0.588  -2.640
   24    HA   PHE   3           HA       PHE   3  14.151   0.499  -1.165
   25    HB2  PHE   3           HB2      PHE   3  11.671   2.219  -1.019
   26    HB3  PHE   3           HB1      PHE   3  13.190   2.671  -0.252
   27    HD1  PHE   3           HD1      PHE   3  11.996   1.360  -3.601
   28    HD2  PHE   3           HD2      PHE   3  14.546   4.098  -1.479
   29    HE1  PHE   3           HE1      PHE   3  12.797   2.291  -5.749
   30    HE2  PHE   3           HE2      PHE   3  15.328   5.029  -3.624
   31    HZ   PHE   3           HZ       PHE   3  14.462   4.127  -5.766
   32    H    TYR   4           HN       TYR   4  14.014  -1.484   0.177
   33    HA   TYR   4           HA       TYR   4  12.666  -1.052   2.790
   34    HB2  TYR   4           HB2      TYR   4  12.748  -3.506   3.006
   35    HB3  TYR   4           HB1      TYR   4  11.883  -3.027   1.544
   36    HD1  TYR   4           HD1      TYR   4  15.280  -4.049   2.773
   37    HD2  TYR   4           HD2      TYR   4  12.601  -3.755  -0.525
   38    HE1  TYR   4           HE1      TYR   4  16.965  -5.130   1.340
   39    HE2  TYR   4           HE2      TYR   4  14.242  -4.868  -1.991
   40    HH   TYR   4           HH       TYR   4  16.810  -6.592  -0.868
   41    H    GLU   5           HN       GLU   5  13.776  -2.173   4.590
   42    HA   GLU   5           HA       GLU   5  15.727  -1.376   5.866
   43    HB2  GLU   5           HB2      GLU   5  14.916  -3.630   6.307
   44    HB3  GLU   5           HB1      GLU   5  15.915  -4.251   4.998
   45    HG2  GLU   5           HG2      GLU   5  17.950  -3.505   6.178
   46    HG3  GLU   5           HG1      GLU   5  16.956  -2.850   7.479
   47    H    LYS   6           HN       LYS   6  16.753  -3.148   2.962
   48    HA   LYS   6           HA       LYS   6  19.119  -1.404   2.859
   49    HB2  LYS   6           HB2      LYS   6  19.730  -3.558   3.959
   50    HB3  LYS   6           HB1      LYS   6  19.188  -4.384   2.500
   51    HG2  LYS   6           HG2      LYS   6  20.857  -3.175   1.168
   52    HG3  LYS   6           HG1      LYS   6  21.350  -2.276   2.602
   53    HD2  LYS   6           HD2      LYS   6  22.942  -4.079   2.175
   54    HD3  LYS   6           HD1      LYS   6  22.066  -4.391   3.667
   55    HE2  LYS   6           HE2      LYS   6  20.619  -6.005   2.509
   56    HE3  LYS   6           HE1      LYS   6  21.416  -5.647   0.978
   57    HZ1  LYS   6           HZ1      LYS   6  23.527  -6.318   2.171
   58    HZ2  LYS   6           HZ2      LYS   6  22.435  -7.567   1.803
   59    HZ3  LYS   6           HZ3      LYS   6  22.529  -6.955   3.385
   60    HAC  4G6   7           HAC      4G6   7  21.449  -2.622  -2.583
   61    HAB  4G6   7           HAB      4G6   7  22.484  -1.496  -1.672
   62    HAA  4G6   7           HAA      4G6   7  21.367  -2.578  -0.805
   63    HAF  4G6   7           HAF      4G6   7  21.028  -0.540  -3.811
   64    HAD  4G6   7           HAD      4G6   7  19.496   0.245  -3.353
   65    HAE  4G6   7           HAE      4G6   7  19.544  -1.508  -3.660
   66    HAL  4G6   7           HAL      4G6   7  20.450   1.201  -1.499
   67    HAH  4G6   7           HAH      4G6   7  18.909  -2.427  -1.529
   68    HAG  4G6   7           HAG      4G6   7  18.328  -0.764  -1.307
   69    H    4G6   7           H          4G6   7  20.116  -1.173   0.796
   70    HA   DPR   8           HA       DPR   8  23.165   1.849   0.561
   71    HB2  DPR   8           HB2      DPR   8  22.398   3.140  -1.246
   72    HB3  DPR   8           HB1      DPR   8  20.700   2.723  -0.943
   73    HG2  DPR   8           HG2      DPR   8  22.465   4.620   0.536
   74    HG3  DPR   8           HG1      DPR   8  20.763   4.797   0.072
   75    HD2  DPR   8           HD2      DPR   8  21.635   3.993   2.601
   76    HD3  DPR   8           HD1      DPR   8  20.015   3.673   1.950
   77    H    VAL   9           HN       VAL   9  18.751   0.146   3.678
   78    HA   VAL   9           HA       VAL   9  20.383   2.603   3.996
   79    HB   VAL   9           HB       VAL   9  20.450   1.114   5.961
   80   HG11  VAL   9          HG11      VAL   9  21.251  -1.069   5.988
   81   HG12  VAL   9          HG12      VAL   9  21.969  -0.938   4.392
   82   HG13  VAL   9          HG13      VAL   9  20.230  -1.051   4.571
   83   HG21  VAL   9          HG21      VAL   9  22.380   2.535   5.265
   84   HG22  VAL   9          HG22      VAL   9  23.060   1.129   4.445
   85   HG23  VAL   9          HG23      VAL   9  22.857   1.116   6.197
   86    H    GLN  10           HN       GLN  10  15.579   3.256   3.769
   87    HA   GLN  10           HA       GLN  10  16.504   0.478   3.855
   88    HB2  GLN  10           HB2      GLN  10  16.987   0.532   1.431
   89    HB3  GLN  10           HB1      GLN  10  15.270   0.728   1.764
   90    HG2  GLN  10           HG2      GLN  10  15.901   2.303   0.046
   91    HG3  GLN  10           HG1      GLN  10  15.524   3.187   1.519
   92   HE21  GLN  10          HE21      GLN  10  16.987   4.856   1.845
   93   HE22  GLN  10          HE22      GLN  10  18.637   4.794   1.453
   94    H    LYS  11           HN       LYS  11  12.255   2.832   3.199
   95    HA   LYS  11           HA       LYS  11  13.933   3.583   5.541
   96    HB2  LYS  11           HB2      LYS  11  11.800   1.435   5.320
   97    HB3  LYS  11           HB1      LYS  11  12.903   1.589   6.676
   98    HG2  LYS  11           HG2      LYS  11  10.752   2.604   7.235
   99    HG3  LYS  11           HG1      LYS  11  11.990   3.846   7.150
  100    HD2  LYS  11           HD2      LYS  11  11.197   4.510   4.934
  101    HD3  LYS  11           HD1      LYS  11  10.011   3.216   4.951
  102    HE2  LYS  11           HE2      LYS  11   8.950   4.237   6.927
  103    HE3  LYS  11           HE1      LYS  11  10.156   5.524   6.905
  104    HZ1  LYS  11           HZ1      LYS  11   7.893   5.063   5.122
  105    HZ2  LYS  11           HZ2      LYS  11   9.309   5.690   4.422
  106    HZ3  LYS  11           HZ3      LYS  11   8.545   6.522   5.691
  107    H    PHE  12           HN       PHE  12  10.548   5.670   2.191
  108    HA   PHE  12           HA       PHE  12  13.040   4.440   1.267
  109    HB2  PHE  12           HB2      PHE  12  12.456   7.159   2.433
  110    HB3  PHE  12           HB1      PHE  12  14.053   6.621   1.938
  111    HD1  PHE  12           HD2      PHE  12  11.940   5.064  -0.437
  112    HD2  PHE  12           HD1      PHE  12  13.373   8.966   0.715
  113    HE1  PHE  12           HE2      PHE  12  11.568   5.868  -2.707
  114    HE2  PHE  12           HE1      PHE  12  12.977   9.767  -1.592
  115    HZ   PHE  12           HZ       PHE  12  12.072   8.226  -3.300
  116    H    ILE  13           HN       ILE  13   8.739   3.040  -0.607
  117    HA   ILE  13           HA       ILE  13   8.673   4.696   1.889
  118    HB   ILE  13           HB       ILE  13   8.739   2.609   3.173
  119   HG12  ILE  13          HG12      ILE  13   8.400   1.270   0.494
  120   HG13  ILE  13          HG11      ILE  13   9.834   1.154   1.496
  121   HG21  ILE  13          HG21      ILE  13   6.443   2.052   2.861
  122   HG22  ILE  13          HG22      ILE  13   6.493   2.514   1.160
  123   HG23  ILE  13          HG23      ILE  13   6.596   3.751   2.413
  124   HD11  ILE  13          HD11      ILE  13   7.072   0.120   2.112
  125   HD12  ILE  13          HD12      ILE  13   8.325   0.278   3.342
  126   HD13  ILE  13          HD13      ILE  13   8.567  -0.804   1.971
  127    H    ARG  14           HN       ARG  14   5.511   5.318  -1.434
  128    HA   ARG  14           HA       ARG  14   7.845   3.842  -2.338
  129    HB2  ARG  14           HB2      ARG  14   7.874   6.858  -2.354
  130    HB3  ARG  14           HB1      ARG  14   9.272   5.809  -2.573
  131    HG2  ARG  14           HG2      ARG  14   8.131   4.779  -4.520
  132    HG3  ARG  14           HG1      ARG  14   6.842   5.957  -4.352
  133    HD2  ARG  14           HD2      ARG  14   8.409   6.741  -6.039
  134    HD3  ARG  14           HD1      ARG  14   8.477   7.790  -4.625
  135    HE   ARG  14           HE       ARG  14  10.418   5.766  -4.324
  136   HH11  ARG  14          HH21      ARG  14   9.658   8.512  -6.293
  137   HH12  ARG  14          HH22      ARG  14  11.310   8.878  -6.663
  138   HH21  ARG  14          HH11      ARG  14  12.587   6.238  -4.814
  139   HH22  ARG  14          HH12      ARG  14  12.967   7.592  -5.825
  140    H1   ACE  15           HA2      ACE  15   3.474   3.596  -3.703
  141    H2   ACE  15           HA3      ACE  15   3.646   5.351  -3.719
  142    H3   ACE  15           HA1      ACE  15   3.526   4.492  -2.185
  Start of MODEL    3
    1    H1   ACE   0           HA2      ACE   0   4.725   0.057  -4.199
    2    H2   ACE   0           HA3      ACE   0   3.290   0.894  -3.606
    3    H3   ACE   0           HA1      ACE   0   3.681  -0.718  -3.009
    4    H    GLU   1           HN       GLU   1   6.579  -0.035  -2.906
    5    HA   GLU   1           HA       GLU   1   6.855   2.096  -0.986
    6    HB2  GLU   1           HB2      GLU   1   7.556   0.638   0.872
    7    HB3  GLU   1           HB1      GLU   1   5.875   0.363   0.429
    8    HG2  GLU   1           HG2      GLU   1   6.549  -1.591  -0.921
    9    HG3  GLU   1           HG1      GLU   1   8.230  -1.326  -0.462
   10    H    ARG   2           HN       ARG   2   8.012   0.943  -3.545
   11    HA   ARG   2           HA       ARG   2  10.608  -0.054  -3.055
   12    HB2  ARG   2           HB2      ARG   2   9.468   1.374  -5.456
   13    HB3  ARG   2           HB1      ARG   2  11.109   0.746  -5.396
   14    HG2  ARG   2           HG2      ARG   2   9.367  -0.767  -6.508
   15    HG3  ARG   2           HG1      ARG   2  10.357  -1.512  -5.255
   16    HD2  ARG   2           HD2      ARG   2   7.641  -0.319  -4.709
   17    HD3  ARG   2           HD1      ARG   2   7.893  -2.021  -5.104
   18    HE   ARG   2           HE       ARG   2   8.657  -0.712  -2.639
   19   HH11  ARG   2          HH21      ARG   2   9.231  -3.321  -4.818
   20   HH12  ARG   2          HH22      ARG   2  10.166  -4.237  -3.684
   21   HH21  ARG   2          HH11      ARG   2   9.858  -1.898  -1.140
   22   HH22  ARG   2          HH12      ARG   2  10.522  -3.430  -1.599
   23    H    PHE   3           HN       PHE   3  12.476   0.913  -3.782
   24    HA   PHE   3           HA       PHE   3  14.049   2.448  -3.889
   25    HB2  PHE   3           HB2      PHE   3  12.616   4.379  -4.377
   26    HB3  PHE   3           HB1      PHE   3  12.194   4.507  -2.664
   27    HD1  PHE   3           HD1      PHE   3  15.271   4.218  -4.815
   28    HD2  PHE   3           HD2      PHE   3  13.464   5.943  -1.328
   29    HE1  PHE   3           HE1      PHE   3  17.380   5.420  -4.311
   30    HE2  PHE   3           HE2      PHE   3  15.573   7.144  -0.817
   31    HZ   PHE   3           HZ       PHE   3  17.527   6.891  -2.321
   32    H    TYR   4           HN       TYR   4  15.268   1.238  -2.495
   33    HA   TYR   4           HA       TYR   4  15.719   2.429   0.063
   34    HB2  TYR   4           HB2      TYR   4  15.024   0.498   1.409
   35    HB3  TYR   4           HB1      TYR   4  13.649   1.139   0.503
   36    HD1  TYR   4           HD1      TYR   4  16.313  -1.443   0.473
   37    HD2  TYR   4           HD2      TYR   4  12.522  -0.194  -1.082
   38    HE1  TYR   4           HE1      TYR   4  16.114  -3.590  -0.706
   39    HE2  TYR   4           HE2      TYR   4  12.297  -2.346  -2.275
   40    HH   TYR   4           HH       TYR   4  14.752  -4.916  -1.905
   41    H    GLU   5           HN       GLU   5  17.509   1.445   1.183
   42    HA   GLU   5           HA       GLU   5  19.180  -0.303  -0.547
   43    HB2  GLU   5           HB2      GLU   5  20.063   2.020  -0.353
   44    HB3  GLU   5           HB1      GLU   5  20.082   1.855   1.393
   45    HG2  GLU   5           HG2      GLU   5  21.659   0.124  -0.529
   46    HG3  GLU   5           HG1      GLU   5  22.318   1.475   0.386
   47    H    LYS   6           HN       LYS   6  18.648  -2.233   0.330
   48    HA   LYS   6           HA       LYS   6  18.788  -2.543   3.270
   49    HB2  LYS   6           HB2      LYS   6  16.637  -3.153   2.215
   50    HB3  LYS   6           HB1      LYS   6  17.504  -4.289   1.184
   51    HG2  LYS   6           HG2      LYS   6  18.222  -5.578   3.129
   52    HG3  LYS   6           HG1      LYS   6  17.490  -4.403   4.203
   53    HD2  LYS   6           HD2      LYS   6  16.070  -6.382   4.042
   54    HD3  LYS   6           HD1      LYS   6  15.253  -4.997   3.342
   55    HE2  LYS   6           HE2      LYS   6  16.716  -7.117   1.739
   56    HE3  LYS   6           HE1      LYS   6  14.979  -7.097   2.012
   57    HZ1  LYS   6           HZ1      LYS   6  16.545  -5.607   0.146
   58    HZ2  LYS   6           HZ2      LYS   6  15.529  -4.603   1.070
   59    HZ3  LYS   6           HZ3      LYS   6  14.874  -5.887   0.177
   60    HAC  4G6   7           HAC      4G6   7  24.493  -5.775   2.554
   61    HAB  4G6   7           HAB      4G6   7  25.221  -4.439   3.476
   62    HAA  4G6   7           HAA      4G6   7  24.149  -5.602   4.292
   63    HAF  4G6   7           HAF      4G6   7  23.859  -2.959   1.422
   64    HAD  4G6   7           HAD      4G6   7  22.187  -3.535   1.207
   65    HAE  4G6   7           HAE      4G6   7  23.553  -4.654   0.978
   66    HAL  4G6   7           HAL      4G6   7  23.463  -2.108   3.458
   67    HAH  4G6   7           HAH      4G6   7  21.930  -5.498   4.249
   68    HAG  4G6   7           HAG      4G6   7  21.748  -5.731   2.496
   69    H    4G6   7           H          4G6   7  20.401  -3.648   4.137
   70    HA   DPR   8           HA       DPR   8  23.393  -1.878   6.880
   71    HB2  DPR   8           HB2      DPR   8  24.729  -0.731   5.320
   72    HB3  DPR   8           HB1      DPR   8  23.385  -0.558   4.172
   73    HG2  DPR   8           HG2      DPR   8  23.896   0.915   6.711
   74    HG3  DPR   8           HG1      DPR   8  23.203   1.502   5.189
   75    HD2  DPR   8           HD2      DPR   8  21.739   0.655   7.492
   76    HD3  DPR   8           HD1      DPR   8  21.065   0.997   5.884
   77    H    VAL   9           HN       VAL   9  18.689  -0.564   4.505
   78    HA   VAL   9           HA       VAL   9  19.442  -0.054   7.278
   79    HB   VAL   9           HB       VAL   9  17.276  -1.114   7.515
   80   HG11  VAL   9          HG11      VAL   9  17.586  -2.345   5.211
   81   HG12  VAL   9          HG12      VAL   9  16.603  -3.073   6.476
   82   HG13  VAL   9          HG13      VAL   9  18.248  -3.635   6.218
   83   HG21  VAL   9          HG21      VAL   9  19.256  -1.692   9.024
   84   HG22  VAL   9          HG22      VAL   9  19.389  -3.193   8.108
   85   HG23  VAL   9          HG23      VAL   9  17.924  -2.847   9.026
   86    H    GLN  10           HN       GLN  10  15.623   2.262   5.409
   87    HA   GLN  10           HA       GLN  10  17.038   0.664   3.577
   88    HB2  GLN  10           HB2      GLN  10  19.163   2.015   3.483
   89    HB3  GLN  10           HB1      GLN  10  17.842   2.656   2.517
   90    HG2  GLN  10           HG2      GLN  10  18.945   4.466   3.724
   91    HG3  GLN  10           HG1      GLN  10  17.314   4.247   4.348
   92   HE21  GLN  10          HE21      GLN  10  17.271   4.353   6.593
   93   HE22  GLN  10          HE22      GLN  10  18.512   3.817   7.620
   94    H    LYS  11           HN       LYS  11  13.630   3.664   1.792
   95    HA   LYS  11           HA       LYS  11  14.102   4.078   4.611
   96    HB2  LYS  11           HB2      LYS  11  13.323   1.847   5.314
   97    HB3  LYS  11           HB1      LYS  11  11.988   2.829   4.710
   98    HG2  LYS  11           HG2      LYS  11  12.165   1.711   2.511
   99    HG3  LYS  11           HG1      LYS  11  13.482   0.718   3.131
  100    HD2  LYS  11           HD2      LYS  11  11.992  -0.226   4.842
  101    HD3  LYS  11           HD1      LYS  11  10.668   0.778   4.250
  102    HE2  LYS  11           HE2      LYS  11  10.511  -1.497   3.320
  103    HE3  LYS  11           HE1      LYS  11  10.822  -0.322   2.043
  104    HZ1  LYS  11           HZ1      LYS  11  12.899  -1.098   1.702
  105    HZ2  LYS  11           HZ2      LYS  11  12.236  -2.531   2.328
  106    HZ3  LYS  11           HZ3      LYS  11  13.151  -1.507   3.328
  107    H    PHE  12           HN       PHE  12  10.543   4.527   0.262
  108    HA   PHE  12           HA       PHE  12  12.697   5.172   0.680
  109    HB2  PHE  12           HB2      PHE  12  11.270   7.427   2.094
  110    HB3  PHE  12           HB1      PHE  12  13.015   7.374   1.873
  111    HD1  PHE  12           HD1      PHE  12   9.900   6.858  -0.212
  112    HD2  PHE  12           HD2      PHE  12  13.864   8.511   0.031
  113    HE1  PHE  12           HE1      PHE  12   9.681   7.775  -2.503
  114    HE2  PHE  12           HE2      PHE  12  13.622   9.420  -2.258
  115    HZ   PHE  12           HZ       PHE  12  11.526   9.052  -3.524
  116    H    ILE  13           HN       ILE  13   9.055   3.643  -0.324
  117    HA   ILE  13           HA       ILE  13   7.559   5.389   1.580
  118    HB   ILE  13           HB       ILE  13   7.071   2.962   1.908
  119   HG12  ILE  13          HG12      ILE  13   8.774   4.161   4.121
  120   HG13  ILE  13          HG11      ILE  13   7.071   4.532   3.853
  121   HG21  ILE  13          HG21      ILE  13   8.838   1.464   2.608
  122   HG22  ILE  13          HG22      ILE  13  10.009   2.779   2.638
  123   HG23  ILE  13          HG23      ILE  13   9.348   2.227   1.104
  124   HD11  ILE  13          HD11      ILE  13   7.097   2.835   5.524
  125   HD12  ILE  13          HD12      ILE  13   8.306   1.892   4.653
  126   HD13  ILE  13          HD13      ILE  13   6.661   2.007   4.029
  127    H    ARG  14           HN       ARG  14   5.710   4.907  -2.856
  128    HA   ARG  14           HA       ARG  14   8.205   3.415  -2.331
  129    HB2  ARG  14           HB2      ARG  14   8.011   6.312  -3.134
  130    HB3  ARG  14           HB1      ARG  14   9.479   5.497  -2.580
  131    HG2  ARG  14           HG2      ARG  14   9.315   3.910  -4.426
  132    HG3  ARG  14           HG1      ARG  14   7.837   4.687  -4.987
  133    HD2  ARG  14           HD2      ARG  14   9.770   5.496  -6.279
  134    HD3  ARG  14           HD1      ARG  14   9.075   6.801  -5.322
  135    HE   ARG  14           HE       ARG  14  11.115   5.579  -3.813
  136   HH11  ARG  14          HH21      ARG  14  10.653   7.450  -6.690
  137   HH12  ARG  14          HH22      ARG  14  12.194   8.237  -6.589
  138   HH21  ARG  14          HH11      ARG  14  13.125   6.624  -3.668
  139   HH22  ARG  14          HH12      ARG  14  13.595   7.765  -4.882
  140    H1   ACE  15           HA2      ACE  15   4.584   4.021  -4.988
  141    H2   ACE  15           HA3      ACE  15   3.969   3.136  -3.591
  142    H3   ACE  15           HA1      ACE  15   4.604   2.258  -4.983
  Start of MODEL    4
    1    H1   ACE   0           HA2      ACE   0   5.550   2.892  -6.311
    2    H2   ACE   0           HA3      ACE   0   5.884   4.576  -6.721
    3    H3   ACE   0           HA1      ACE   0   5.940   4.051  -5.039
    4    H    GLU   1           HN       GLU   1   7.845   3.317  -4.222
    5    HA   GLU   1           HA       GLU   1   9.973   2.424  -6.031
    6    HB2  GLU   1           HB2      GLU   1  10.300   4.875  -5.729
    7    HB3  GLU   1           HB1      GLU   1  10.358   4.629  -3.982
    8    HG2  GLU   1           HG2      GLU   1  12.269   3.123  -4.262
    9    HG3  GLU   1           HG1      GLU   1  12.218   3.363  -5.998
   10    H    ARG   2           HN       ARG   2  10.905   0.664  -5.183
   11    HA   ARG   2           HA       ARG   2   9.854  -0.549  -2.917
   12    HB2  ARG   2           HB2      ARG   2  11.433  -2.307  -3.248
   13    HB3  ARG   2           HB1      ARG   2  10.998  -1.705  -4.838
   14    HG2  ARG   2           HG2      ARG   2  13.538  -1.086  -3.298
   15    HG3  ARG   2           HG1      ARG   2  13.398  -2.046  -4.756
   16    HD2  ARG   2           HD2      ARG   2  12.932   0.920  -4.510
   17    HD3  ARG   2           HD1      ARG   2  14.255   0.126  -5.329
   18    HE   ARG   2           HE       ARG   2  11.693   0.604  -6.375
   19   HH11  ARG   2          HH21      ARG   2  14.289  -1.670  -6.311
   20   HH12  ARG   2          HH22      ARG   2  13.857  -2.423  -7.810
   21   HH21  ARG   2          HH11      ARG   2  11.110  -0.382  -8.352
   22   HH22  ARG   2          HH12      ARG   2  12.060  -1.694  -8.963
   23    H    PHE   3           HN       PHE   3  12.228   1.757  -3.127
   24    HA   PHE   3           HA       PHE   3  14.230   1.736  -1.554
   25    HB2  PHE   3           HB2      PHE   3  12.940   3.807  -2.220
   26    HB3  PHE   3           HB1      PHE   3  11.966   3.578  -0.778
   27    HD1  PHE   3           HD1      PHE   3  15.560   3.738  -1.823
   28    HD2  PHE   3           HD2      PHE   3  12.653   4.696   1.163
   29    HE1  PHE   3           HE1      PHE   3  17.287   4.961  -0.533
   30    HE2  PHE   3           HE2      PHE   3  14.359   5.921   2.461
   31    HZ   PHE   3           HZ       PHE   3  16.687   6.062   1.606
   32    H    TYR   4           HN       TYR   4  13.697  -0.450  -0.276
   33    HA   TYR   4           HA       TYR   4  12.341   0.149   2.296
   34    HB2  TYR   4           HB2      TYR   4  11.915  -2.246   2.483
   35    HB3  TYR   4           HB1      TYR   4  11.280  -1.628   0.964
   36    HD1  TYR   4           HD1      TYR   4  14.364  -3.172   2.382
   37    HD2  TYR   4           HD2      TYR   4  11.803  -2.780  -1.006
   38    HE1  TYR   4           HE1      TYR   4  15.802  -4.724   1.165
   39    HE2  TYR   4           HE2      TYR   4  13.205  -4.394  -2.246
   40    HH   TYR   4           HH       TYR   4  15.588  -5.197  -2.176
   41    H    GLU   5           HN       GLU   5  13.126  -0.666   4.189
   42    HA   GLU   5           HA       GLU   5  15.245  -0.129   5.378
   43    HB2  GLU   5           HB2      GLU   5  15.416  -2.277   6.597
   44    HB3  GLU   5           HB1      GLU   5  13.765  -1.689   6.427
   45    HG2  GLU   5           HG2      GLU   5  13.423  -3.195   4.508
   46    HG3  GLU   5           HG1      GLU   5  15.073  -3.787   4.670
   47    H    LYS   6           HN       LYS   6  15.644  -2.774   3.086
   48    HA   LYS   6           HA       LYS   6  18.545  -2.207   3.079
   49    HB2  LYS   6           HB2      LYS   6  17.242  -4.931   2.904
   50    HB3  LYS   6           HB1      LYS   6  18.962  -4.612   2.709
   51    HG2  LYS   6           HG2      LYS   6  19.054  -3.706   5.000
   52    HG3  LYS   6           HG1      LYS   6  17.330  -4.011   5.194
   53    HD2  LYS   6           HD2      LYS   6  17.709  -6.421   4.841
   54    HD3  LYS   6           HD1      LYS   6  19.435  -6.121   4.638
   55    HE2  LYS   6           HE2      LYS   6  18.948  -6.865   6.937
   56    HE3  LYS   6           HE1      LYS   6  19.541  -5.204   6.933
   57    HZ1  LYS   6           HZ1      LYS   6  17.136  -6.153   7.957
   58    HZ2  LYS   6           HZ2      LYS   6  16.746  -5.198   6.606
   59    HZ3  LYS   6           HZ3      LYS   6  17.666  -4.544   7.875
   60    HAC  4G6   7           HAC      4G6   7  20.699  -4.860  -1.969
   61    HAB  4G6   7           HAB      4G6   7  21.959  -3.907  -1.151
   62    HAA  4G6   7           HAA      4G6   7  20.566  -4.521  -0.228
   63    HAF  4G6   7           HAF      4G6   7  19.431  -1.804  -3.254
   64    HAD  4G6   7           HAD      4G6   7  19.490  -3.576  -3.422
   65    HAE  4G6   7           HAE      4G6   7  20.995  -2.626  -3.455
   66    HAL  4G6   7           HAL      4G6   7  20.737  -0.797  -1.455
   67    HAH  4G6   7           HAH      4G6   7  18.234  -3.853  -1.305
   68    HAG  4G6   7           HAG      4G6   7  18.135  -2.083  -1.208
   69    H    4G6   7           H          4G6   7  19.585  -3.298   1.034
   70    HA   DPR   8           HA       DPR   8  23.190  -0.578   0.937
   71    HB2  DPR   8           HB2      DPR   8  23.003   0.584  -1.103
   72    HB3  DPR   8           HB1      DPR   8  21.234   0.686  -0.985
   73    HG2  DPR   8           HG2      DPR   8  23.308   2.215   0.522
   74    HG3  DPR   8           HG1      DPR   8  21.797   2.790  -0.210
   75    HD2  DPR   8           HD2      DPR   8  22.089   2.156   2.490
   76    HD3  DPR   8           HD1      DPR   8  20.532   2.179   1.631
   77    H    VAL   9           HN       VAL   9  18.195  -0.153   2.946
   78    HA   VAL   9           HA       VAL   9  20.553   1.294   3.992
   79    HB   VAL   9           HB       VAL   9  19.677  -1.472   4.862
   80   HG11  VAL   9          HG11      VAL   9  22.022  -1.422   4.794
   81   HG12  VAL   9          HG12      VAL   9  21.593  -1.136   6.482
   82   HG13  VAL   9          HG13      VAL   9  22.088   0.212   5.457
   83   HG21  VAL   9          HG21      VAL   9  18.909  -0.604   6.862
   84   HG22  VAL   9          HG22      VAL   9  18.524   0.760   5.823
   85   HG23  VAL   9          HG23      VAL   9  19.985   0.793   6.797
   86    H    GLN  10           HN       GLN  10  16.202   3.376   4.364
   87    HA   GLN  10           HA       GLN  10  16.213   0.810   3.073
   88    HB2  GLN  10           HB2      GLN  10  15.622   2.262   1.168
   89    HB3  GLN  10           HB1      GLN  10  17.079   3.200   1.481
   90    HG2  GLN  10           HG2      GLN  10  18.478   1.220   1.061
   91    HG3  GLN  10           HG1      GLN  10  17.034   0.252   0.783
   92   HE21  GLN  10          HE21      GLN  10  16.640  -0.016  -1.412
   93   HE22  GLN  10          HE22      GLN  10  16.988   1.133  -2.612
   94    H    LYS  11           HN       LYS  11  12.361   3.989   2.976
   95    HA   LYS  11           HA       LYS  11  14.343   4.375   4.929
   96    HB2  LYS  11           HB2      LYS  11  14.035   2.382   6.371
   97    HB3  LYS  11           HB1      LYS  11  12.750   3.556   6.589
   98    HG2  LYS  11           HG2      LYS  11  11.320   2.251   5.030
   99    HG3  LYS  11           HG1      LYS  11  12.609   1.060   4.876
  100    HD2  LYS  11           HD2      LYS  11  12.505   0.607   7.289
  101    HD3  LYS  11           HD1      LYS  11  11.229   1.812   7.466
  102    HE2  LYS  11           HE2      LYS  11  10.270  -0.453   7.324
  103    HE3  LYS  11           HE1      LYS  11   9.791   0.514   5.931
  104    HZ1  LYS  11           HZ1      LYS  11  10.789  -1.900   5.682
  105    HZ2  LYS  11           HZ2      LYS  11  12.251  -1.038   5.707
  106    HZ3  LYS  11           HZ3      LYS  11  11.077  -0.689   4.530
  107    H    PHE  12           HN       PHE  12  11.424   5.137   1.922
  108    HA   PHE  12           HA       PHE  12  10.534   6.703   3.983
  109    HB2  PHE  12           HB2      PHE  12   9.216   5.018   5.326
  110    HB3  PHE  12           HB1      PHE  12   8.381   5.725   3.957
  111    HD1  PHE  12           HD2      PHE  12  10.766   3.471   2.544
  112    HD2  PHE  12           HD1      PHE  12   7.052   3.530   4.718
  113    HE1  PHE  12           HE2      PHE  12  10.225   1.298   1.644
  114    HE2  PHE  12           HE1      PHE  12   6.522   1.297   3.807
  115    HZ   PHE  12           HZ       PHE  12   8.093   0.174   2.262
  116    H    ILE  13           HN       ILE  13   9.152   4.507  -1.508
  117    HA   ILE  13           HA       ILE  13  10.947   5.519  -0.164
  118    HB   ILE  13           HB       ILE  13   9.839   6.939  -1.850
  119   HG12  ILE  13          HG12      ILE  13  11.722   7.905  -0.575
  120   HG13  ILE  13          HG11      ILE  13  10.546   9.133  -1.003
  121   HG21  ILE  13          HG21      ILE  13   7.977   8.274  -1.418
  122   HG22  ILE  13          HG22      ILE  13   8.216   8.242   0.325
  123   HG23  ILE  13          HG23      ILE  13   7.596   6.817  -0.502
  124   HD11  ILE  13          HD11      ILE  13  10.972   9.693   1.195
  125   HD12  ILE  13          HD12      ILE  13  11.249   8.030   1.693
  126   HD13  ILE  13          HD13      ILE  13   9.603   8.616   1.425
  127    H    ARG  14           HN       ARG  14   7.859   1.598   0.502
  128    HA   ARG  14           HA       ARG  14   7.296   3.418  -1.728
  129    HB2  ARG  14           HB2      ARG  14   5.123   2.732  -0.948
  130    HB3  ARG  14           HB1      ARG  14   5.582   3.034   0.722
  131    HG2  ARG  14           HG2      ARG  14   4.171   4.859  -0.118
  132    HG3  ARG  14           HG1      ARG  14   5.784   5.453   0.230
  133    HD2  ARG  14           HD2      ARG  14   4.787   4.707  -2.530
  134    HD3  ARG  14           HD1      ARG  14   4.840   6.345  -1.896
  135    HE   ARG  14           HE       ARG  14   7.417   5.213  -1.690
  136   HH11  ARG  14          HH21      ARG  14   5.089   6.281  -4.017
  137   HH12  ARG  14          HH22      ARG  14   6.270   6.703  -5.212
  138   HH21  ARG  14          HH11      ARG  14   8.973   5.768  -3.256
  139   HH22  ARG  14          HH12      ARG  14   8.466   6.414  -4.782
  140    H1   ACE  15           HA2      ACE  15   9.159  -0.439  -0.715
  141    H2   ACE  15           HA3      ACE  15   7.934  -1.145  -1.773
  142    H3   ACE  15           HA1      ACE  15   7.541  -0.766  -0.098
  Start of MODEL    5
    1    H1   ACE   0           HA2      ACE   0   4.480   1.513  -4.224
    2    H2   ACE   0           HA3      ACE   0   4.076   0.602  -5.678
    3    H3   ACE   0           HA1      ACE   0   4.856   2.176  -5.815
    4    H    GLU   1           HN       GLU   1   6.938   2.135  -4.155
    5    HA   GLU   1           HA       GLU   1   8.488  -0.321  -4.798
    6    HB2  GLU   1           HB2      GLU   1   9.482   2.526  -5.002
    7    HB3  GLU   1           HB1      GLU   1  10.450   1.077  -5.248
    8    HG2  GLU   1           HG2      GLU   1   8.981   0.414  -7.114
    9    HG3  GLU   1           HG1      GLU   1   8.024   1.875  -6.876
   10    H    ARG   2           HN       ARG   2   9.879  -1.038  -3.293
   11    HA   ARG   2           HA       ARG   2   9.512  -0.277  -0.573
   12    HB2  ARG   2           HB2      ARG   2  11.670  -1.963  -1.856
   13    HB3  ARG   2           HB1      ARG   2  11.293  -1.914  -0.136
   14    HG2  ARG   2           HG2      ARG   2   9.071  -2.824  -0.554
   15    HG3  ARG   2           HG1      ARG   2   9.356  -2.783  -2.298
   16    HD2  ARG   2           HD2      ARG   2  10.969  -4.380  -0.290
   17    HD3  ARG   2           HD1      ARG   2   9.769  -5.042  -1.398
   18    HE   ARG   2           HE       ARG   2  11.680  -3.577  -2.888
   19   HH11  ARG   2          HH21      ARG   2  11.319  -6.454  -0.992
   20   HH12  ARG   2          HH22      ARG   2  12.589  -7.312  -1.799
   21   HH21  ARG   2          HH11      ARG   2  13.348  -4.700  -3.950
   22   HH22  ARG   2          HH12      ARG   2  13.739  -6.319  -3.475
   23    H    PHE   3           HN       PHE   3  11.936   0.153  -2.969
   24    HA   PHE   3           HA       PHE   3  14.029   1.124  -2.940
   25    HB2  PHE   3           HB2      PHE   3  12.568   3.035  -3.615
   26    HB3  PHE   3           HB1      PHE   3  12.390   3.487  -1.916
   27    HD1  PHE   3           HD1      PHE   3  15.073   2.659  -4.416
   28    HD2  PHE   3           HD2      PHE   3  13.943   4.937  -0.968
   29    HE1  PHE   3           HE1      PHE   3  17.288   3.773  -4.429
   30    HE2  PHE   3           HE2      PHE   3  16.151   6.082  -0.993
   31    HZ   PHE   3           HZ       PHE   3  17.823   5.493  -2.725
   32    H    TYR   4           HN       TYR   4  14.468  -0.356  -0.892
   33    HA   TYR   4           HA       TYR   4  15.062   1.422   1.413
   34    HB2  TYR   4           HB2      TYR   4  15.182  -0.546   2.819
   35    HB3  TYR   4           HB1      TYR   4  13.626  -0.471   2.021
   36    HD1  TYR   4           HD2      TYR   4  15.662  -1.572  -0.615
   37    HD2  TYR   4           HD1      TYR   4  14.145  -2.871   3.190
   38    HE1  TYR   4           HE2      TYR   4  16.030  -3.904  -1.256
   39    HE2  TYR   4           HE1      TYR   4  14.485  -5.206   2.509
   40    HH   TYR   4           HH       TYR   4  16.120  -6.048  -0.495
   41    H    GLU   5           HN       GLU   5  17.004   2.257   0.491
   42    HA   GLU   5           HA       GLU   5  19.116   1.284  -0.754
   43    HB2  GLU   5           HB2      GLU   5  19.050   3.473   0.419
   44    HB3  GLU   5           HB1      GLU   5  19.368   2.654   1.942
   45    HG2  GLU   5           HG2      GLU   5  21.214   2.616  -0.462
   46    HG3  GLU   5           HG1      GLU   5  21.414   3.663   0.941
   47    H    LYS   6           HN       LYS   6  20.386  -0.518  -0.745
   48    HA   LYS   6           HA       LYS   6  20.106  -2.337   1.565
   49    HB2  LYS   6           HB2      LYS   6  21.173  -3.020  -1.182
   50    HB3  LYS   6           HB1      LYS   6  20.784  -4.119   0.103
   51    HG2  LYS   6           HG2      LYS   6  19.003  -4.191  -1.523
   52    HG3  LYS   6           HG1      LYS   6  18.406  -3.492  -0.030
   53    HD2  LYS   6           HD2      LYS   6  17.503  -2.321  -1.997
   54    HD3  LYS   6           HD1      LYS   6  18.477  -1.237  -1.059
   55    HE2  LYS   6           HE2      LYS   6  19.395  -2.669  -3.559
   56    HE3  LYS   6           HE1      LYS   6  18.839  -1.003  -3.505
   57    HZ1  LYS   6           HZ1      LYS   6  20.916  -0.438  -3.079
   58    HZ2  LYS   6           HZ2      LYS   6  21.400  -2.058  -2.922
   59    HZ3  LYS   6           HZ3      LYS   6  20.797  -1.209  -1.579
   60    HAC  4G6   7           HAC      4G6   7  26.091  -1.094   2.646
   61    HAB  4G6   7           HAB      4G6   7  25.869  -0.446   4.290
   62    HAA  4G6   7           HAA      4G6   7  26.080  -2.197   4.043
   63    HAF  4G6   7           HAF      4G6   7  24.016  -0.189   1.745
   64    HAD  4G6   7           HAD      4G6   7  23.808   0.676   3.292
   65    HAE  4G6   7           HAE      4G6   7  22.496  -0.347   2.651
   66    HAL  4G6   7           HAL      4G6   7  23.760  -0.829   5.486
   67    HAH  4G6   7           HAH      4G6   7  24.030  -3.587   3.227
   68    HAG  4G6   7           HAG      4G6   7  24.535  -2.686   1.778
   69    H    4G6   7           H          4G6   7  21.756  -3.117   2.708
   70    HA   DPR   8           HA       DPR   8  22.153  -3.309   7.083
   71    HB2  DPR   8           HB2      DPR   8  23.714  -1.701   7.842
   72    HB3  DPR   8           HB1      DPR   8  22.992  -0.415   6.853
   73    HG2  DPR   8           HG2      DPR   8  21.945  -1.677   9.345
   74    HG3  DPR   8           HG1      DPR   8  21.958   0.032   8.869
   75    HD2  DPR   8           HD2      DPR   8  19.773  -1.713   8.551
   76    HD3  DPR   8           HD1      DPR   8  19.979  -0.171   7.693
   77    H    VAL   9           HN       VAL   9  18.192  -0.210   4.180
   78    HA   VAL   9           HA       VAL   9  18.147  -1.419   6.890
   79    HB   VAL   9           HB       VAL   9  17.526  -2.635   4.194
   80   HG11  VAL   9          HG11      VAL   9  17.667  -3.782   6.997
   81   HG12  VAL   9          HG12      VAL   9  18.516  -4.346   5.558
   82   HG13  VAL   9          HG13      VAL   9  16.771  -4.561   5.693
   83   HG21  VAL   9          HG21      VAL   9  15.255  -2.837   5.239
   84   HG22  VAL   9          HG22      VAL   9  15.760  -1.164   5.013
   85   HG23  VAL   9          HG23      VAL   9  15.845  -1.902   6.612
   86    H    GLN  10           HN       GLN  10  15.845   2.520   5.932
   87    HA   GLN  10           HA       GLN  10  17.988   1.950   3.978
   88    HB2  GLN  10           HB2      GLN  10  18.311   3.467   6.586
   89    HB3  GLN  10           HB1      GLN  10  19.616   2.991   5.500
   90    HG2  GLN  10           HG2      GLN  10  18.631   4.358   3.702
   91    HG3  GLN  10           HG1      GLN  10  17.320   4.837   4.779
   92   HE21  GLN  10          HE21      GLN  10  17.677   6.846   5.714
   93   HE22  GLN  10          HE22      GLN  10  19.202   7.489   6.093
   94    H    LYS  11           HN       LYS  11  13.849   3.489   2.146
   95    HA   LYS  11           HA       LYS  11  14.047   3.924   5.020
   96    HB2  LYS  11           HB2      LYS  11  12.253   2.249   4.551
   97    HB3  LYS  11           HB1      LYS  11  13.414   1.303   3.646
   98    HG2  LYS  11           HG2      LYS  11  13.217   0.213   5.709
   99    HG3  LYS  11           HG1      LYS  11  14.719   1.075   5.824
  100    HD2  LYS  11           HD2      LYS  11  12.095   1.905   7.086
  101    HD3  LYS  11           HD1      LYS  11  13.425   1.147   7.929
  102    HE2  LYS  11           HE2      LYS  11  13.345   3.953   6.796
  103    HE3  LYS  11           HE1      LYS  11  13.387   3.474   8.464
  104    HZ1  LYS  11           HZ1      LYS  11  15.550   2.223   7.578
  105    HZ2  LYS  11           HZ2      LYS  11  15.564   3.776   8.264
  106    HZ3  LYS  11           HZ3      LYS  11  15.568   3.590   6.576
  107    H    PHE  12           HN       PHE  12  10.213   6.084   2.064
  108    HA   PHE  12           HA       PHE  12  12.573   4.728   0.932
  109    HB2  PHE  12           HB2      PHE  12  12.342   7.448   2.265
  110    HB3  PHE  12           HB1      PHE  12  13.785   6.802   1.476
  111    HD1  PHE  12           HD1      PHE  12  10.156   7.508   0.831
  112    HD2  PHE  12           HD2      PHE  12  14.097   7.156  -0.829
  113    HE1  PHE  12           HE1      PHE  12   9.283   8.155  -1.393
  114    HE2  PHE  12           HE2      PHE  12  13.214   7.752  -3.053
  115    HZ   PHE  12           HZ       PHE  12  10.805   8.296  -3.335
  116    H    ILE  13           HN       ILE  13   8.576   3.940  -0.988
  117    HA   ILE  13           HA       ILE  13   8.245   5.384   1.525
  118    HB   ILE  13           HB       ILE  13   6.792   3.421   1.811
  119   HG12  ILE  13          HG12      ILE  13   7.996   4.237   3.813
  120   HG13  ILE  13          HG11      ILE  13   7.729   2.505   3.879
  121   HG21  ILE  13          HG21      ILE  13   7.579   1.178   1.632
  122   HG22  ILE  13          HG22      ILE  13   9.253   1.703   1.458
  123   HG23  ILE  13          HG23      ILE  13   8.094   2.013   0.168
  124   HD11  ILE  13          HD11      ILE  13  10.285   4.024   3.619
  125   HD12  ILE  13          HD12      ILE  13  10.188   2.458   2.810
  126   HD13  ILE  13          HD13      ILE  13   9.926   2.572   4.543
  127    H    ARG  14           HN       ARG  14   4.501   5.398  -1.489
  128    HA   ARG  14           HA       ARG  14   6.766   3.900  -2.502
  129    HB2  ARG  14           HB2      ARG  14   6.745   5.931  -3.940
  130    HB3  ARG  14           HB1      ARG  14   6.760   6.940  -2.502
  131    HG2  ARG  14           HG2      ARG  14   9.002   6.846  -3.368
  132    HG3  ARG  14           HG1      ARG  14   8.953   5.918  -1.882
  133    HD2  ARG  14           HD2      ARG  14   8.857   3.826  -3.134
  134    HD3  ARG  14           HD1      ARG  14   8.794   4.711  -4.648
  135    HE   ARG  14           HE       ARG  14  11.127   4.054  -3.166
  136   HH11  ARG  14          HH21      ARG  14   9.664   6.547  -5.075
  137   HH12  ARG  14          HH22      ARG  14  11.170   7.285  -5.511
  138   HH21  ARG  14          HH11      ARG  14  13.099   5.015  -3.737
  139   HH22  ARG  14          HH12      ARG  14  13.114   6.416  -4.756
  140    H1   ACE  15           HA2      ACE  15   2.364   3.594  -3.339
  141    H2   ACE  15           HA3      ACE  15   2.528   5.212  -4.020
  142    H3   ACE  15           HA1      ACE  15   2.514   4.989  -2.272
  Start of MODEL    6
    1    H1   ACE   0           HA2      ACE   0   2.896   1.469  -4.483
    2    H2   ACE   0           HA3      ACE   0   3.953   2.740  -5.096
    3    H3   ACE   0           HA1      ACE   0   3.851   2.438  -3.361
    4    H    GLU   1           HN       GLU   1   6.207   2.210  -3.452
    5    HA   GLU   1           HA       GLU   1   6.977  -0.572  -4.011
    6    HB2  GLU   1           HB2      GLU   1   9.020   0.143  -5.189
    7    HB3  GLU   1           HB1      GLU   1   7.567   0.637  -6.056
    8    HG2  GLU   1           HG2      GLU   1   7.745   2.894  -5.069
    9    HG3  GLU   1           HG1      GLU   1   9.206   2.405  -4.213
   10    H    ARG   2           HN       ARG   2   8.547  -1.359  -2.678
   11    HA   ARG   2           HA       ARG   2   9.406   0.420  -0.490
   12    HB2  ARG   2           HB2      ARG   2   9.767  -1.509   0.914
   13    HB3  ARG   2           HB1      ARG   2   8.132  -1.561   0.254
   14    HG2  ARG   2           HG2      ARG   2  10.505  -3.233  -0.643
   15    HG3  ARG   2           HG1      ARG   2   9.119  -3.793   0.263
   16    HD2  ARG   2           HD2      ARG   2   8.852  -4.516  -2.004
   17    HD3  ARG   2           HD1      ARG   2   7.688  -3.229  -1.726
   18    HE   ARG   2           HE       ARG   2  10.042  -2.100  -2.786
   19   HH11  ARG   2          HH21      ARG   2   7.414  -4.193  -3.613
   20   HH12  ARG   2          HH22      ARG   2   7.470  -3.825  -5.305
   21   HH21  ARG   2          HH11      ARG   2  10.129  -1.618  -5.007
   22   HH22  ARG   2          HH12      ARG   2   9.008  -2.366  -6.094
   23    H    PHE   3           HN       PHE   3  10.894   0.522  -2.989
   24    HA   PHE   3           HA       PHE   3  13.136  -0.834  -3.481
   25    HB2  PHE   3           HB2      PHE   3  12.876   1.406  -4.345
   26    HB3  PHE   3           HB1      PHE   3  13.013   2.101  -2.749
   27    HD1  PHE   3           HD1      PHE   3  14.983  -0.257  -4.935
   28    HD2  PHE   3           HD2      PHE   3  15.035   3.074  -2.219
   29    HE1  PHE   3           HE1      PHE   3  17.446  -0.066  -5.198
   30    HE2  PHE   3           HE2      PHE   3  17.468   3.267  -2.472
   31    HZ   PHE   3           HZ       PHE   3  18.693   1.696  -3.968
   32    H    TYR   4           HN       TYR   4  13.762  -2.284  -1.943
   33    HA   TYR   4           HA       TYR   4  14.375  -1.275   0.755
   34    HB2  TYR   4           HB2      TYR   4  12.812  -3.245   0.158
   35    HB3  TYR   4           HB1      TYR   4  14.284  -4.149  -0.183
   36    HD1  TYR   4           HD1      TYR   4  12.776  -1.919   2.309
   37    HD2  TYR   4           HD2      TYR   4  15.328  -5.295   1.643
   38    HE1  TYR   4           HE1      TYR   4  12.953  -2.213   4.713
   39    HE2  TYR   4           HE2      TYR   4  15.540  -5.607   4.097
   40    HH   TYR   4           HH       TYR   4  15.227  -4.496   6.133
   41    H    GLU   5           HN       GLU   5  16.430  -0.813   1.217
   42    HA   GLU   5           HA       GLU   5  18.525  -2.694   0.367
   43    HB2  GLU   5           HB2      GLU   5  18.615  -0.799  -1.220
   44    HB3  GLU   5           HB1      GLU   5  18.726   0.322   0.129
   45    HG2  GLU   5           HG2      GLU   5  20.951  -0.063  -0.817
   46    HG3  GLU   5           HG1      GLU   5  20.877  -0.731   0.805
   47    H    LYS   6           HN       LYS   6  18.028  -3.338   2.603
   48    HA   LYS   6           HA       LYS   6  19.166  -1.517   4.649
   49    HB2  LYS   6           HB2      LYS   6  16.839  -2.277   5.037
   50    HB3  LYS   6           HB1      LYS   6  17.387  -3.952   4.978
   51    HG2  LYS   6           HG2      LYS   6  18.873  -3.531   6.914
   52    HG3  LYS   6           HG1      LYS   6  18.317  -1.861   6.966
   53    HD2  LYS   6           HD2      LYS   6  16.010  -2.632   7.365
   54    HD3  LYS   6           HD1      LYS   6  16.567  -4.306   7.324
   55    HE2  LYS   6           HE2      LYS   6  17.509  -2.195   9.287
   56    HE3  LYS   6           HE1      LYS   6  16.370  -3.493   9.650
   57    HZ1  LYS   6           HZ1      LYS   6  19.211  -3.779   8.843
   58    HZ2  LYS   6           HZ2      LYS   6  18.127  -5.080   8.966
   59    HZ3  LYS   6           HZ3      LYS   6  18.530  -4.173  10.345
   60    HAC  4G6   7           HAC      4G6   7  24.954  -4.141   6.121
   61    HAB  4G6   7           HAB      4G6   7  24.134  -5.444   5.226
   62    HAA  4G6   7           HAA      4G6   7  25.246  -4.344   4.377
   63    HAF  4G6   7           HAF      4G6   7  21.989  -4.005   3.267
   64    HAD  4G6   7           HAD      4G6   7  23.711  -4.248   2.885
   65    HAE  4G6   7           HAE      4G6   7  23.026  -2.604   2.919
   66    HAL  4G6   7           HAL      4G6   7  24.280  -1.604   4.511
   67    HAH  4G6   7           HAH      4G6   7  22.357  -3.932   6.734
   68    HAG  4G6   7           HAG      4G6   7  21.873  -4.962   5.371
   69    H    4G6   7           H          4G6   7  20.906  -2.172   5.850
   70    HA   DPR   8           HA       DPR   8  24.280   0.096   7.469
   71    HB2  DPR   8           HB2      DPR   8  25.906  -0.041   5.750
   72    HB3  DPR   8           HB1      DPR   8  24.670   0.056   4.474
   73    HG2  DPR   8           HG2      DPR   8  25.628   2.194   6.332
   74    HG3  DPR   8           HG1      DPR   8  25.276   2.289   4.596
   75    HD2  DPR   8           HD2      DPR   8  23.489   3.008   6.669
   76    HD3  DPR   8           HD1      DPR   8  23.045   2.720   4.974
   77    H    VAL   9           HN       VAL   9  19.729   0.957   4.432
   78    HA   VAL   9           HA       VAL   9  21.089   2.921   6.120
   79    HB   VAL   9           HB       VAL   9  18.836   2.821   7.063
   80   HG11  VAL   9          HG11      VAL   9  17.721   0.892   7.635
   81   HG12  VAL   9          HG12      VAL   9  19.204  -0.005   7.941
   82   HG13  VAL   9          HG13      VAL   9  18.667   0.282   6.281
   83   HG21  VAL   9          HG21      VAL   9  19.508   2.518   9.330
   84   HG22  VAL   9          HG22      VAL   9  20.963   3.026   8.472
   85   HG23  VAL   9          HG23      VAL   9  20.730   1.327   8.882
   86    H    GLN  10           HN       GLN  10  17.286   4.316   3.291
   87    HA   GLN  10           HA       GLN  10  18.452   1.644   2.730
   88    HB2  GLN  10           HB2      GLN  10  18.759   3.276   0.825
   89    HB3  GLN  10           HB1      GLN  10  19.628   4.329   1.934
   90    HG2  GLN  10           HG2      GLN  10  20.427   1.501   1.211
   91    HG3  GLN  10           HG1      GLN  10  21.171   2.957   0.575
   92   HE21  GLN  10          HE21      GLN  10  21.667   0.575   2.797
   93   HE22  GLN  10          HE22      GLN  10  22.612   1.419   3.921
   94    H    LYS  11           HN       LYS  11  13.942   2.249   1.594
   95    HA   LYS  11           HA       LYS  11  15.110   4.639   2.626
   96    HB2  LYS  11           HB2      LYS  11  13.520   4.176   4.398
   97    HB3  LYS  11           HB1      LYS  11  14.139   2.540   4.588
   98    HG2  LYS  11           HG2      LYS  11  16.365   3.494   5.151
   99    HG3  LYS  11           HG1      LYS  11  15.683   5.108   5.037
  100    HD2  LYS  11           HD2      LYS  11  14.833   2.952   6.986
  101    HD3  LYS  11           HD1      LYS  11  15.861   4.319   7.379
  102    HE2  LYS  11           HE2      LYS  11  13.609   4.792   8.144
  103    HE3  LYS  11           HE1      LYS  11  13.966   5.847   6.782
  104    HZ1  LYS  11           HZ1      LYS  11  12.330   4.954   5.607
  105    HZ2  LYS  11           HZ2      LYS  11  11.807   4.204   7.037
  106    HZ3  LYS  11           HZ3      LYS  11  12.818   3.369   5.957
  107    H    PHE  12           HN       PHE  12  10.257   4.385   0.009
  108    HA   PHE  12           HA       PHE  12  11.437   2.195   1.424
  109    HB2  PHE  12           HB2      PHE  12  13.249   2.464  -0.283
  110    HB3  PHE  12           HB1      PHE  12  11.647   2.066  -0.899
  111    HD1  PHE  12           HD1      PHE  12  13.814   5.034  -0.060
  112    HD2  PHE  12           HD2      PHE  12  10.836   3.338  -2.636
  113    HE1  PHE  12           HE1      PHE  12  13.838   7.074  -1.441
  114    HE2  PHE  12           HE2      PHE  12  10.897   5.343  -4.039
  115    HZ   PHE  12           HZ       PHE  12  12.380   7.239  -3.450
  116    H    ILE  13           HN       ILE  13   8.365   3.924  -0.531
  117    HA   ILE  13           HA       ILE  13   8.373   5.649   1.774
  118    HB   ILE  13           HB       ILE  13   7.378   4.082   3.372
  119   HG12  ILE  13          HG12      ILE  13   7.701   2.002   2.139
  120   HG13  ILE  13          HG11      ILE  13   6.014   2.191   2.584
  121   HG21  ILE  13          HG21      ILE  13   5.336   4.673   1.225
  122   HG22  ILE  13          HG22      ILE  13   6.013   5.915   2.284
  123   HG23  ILE  13          HG23      ILE  13   5.090   4.579   2.966
  124   HD11  ILE  13          HD11      ILE  13   5.788   1.542   0.379
  125   HD12  ILE  13          HD12      ILE  13   7.288   2.313  -0.116
  126   HD13  ILE  13          HD13      ILE  13   5.848   3.287   0.164
  127    H    ARG  14           HN       ARG  14   5.796   7.040  -2.311
  128    HA   ARG  14           HA       ARG  14   6.620   4.221  -2.193
  129    HB2  ARG  14           HB2      ARG  14   9.003   4.934  -2.333
  130    HB3  ARG  14           HB1      ARG  14   8.089   5.133  -3.816
  131    HG2  ARG  14           HG2      ARG  14   9.501   7.069  -3.480
  132    HG3  ARG  14           HG1      ARG  14   7.828   7.540  -3.308
  133    HD2  ARG  14           HD2      ARG  14   9.318   8.588  -1.638
  134    HD3  ARG  14           HD1      ARG  14   8.070   7.639  -0.884
  135    HE   ARG  14           HE       ARG  14  10.377   6.027  -1.272
  136   HH11  ARG  14          HH21      ARG  14   9.194   8.725   0.547
  137   HH12  ARG  14          HH22      ARG  14  10.229   8.440   1.907
  138   HH21  ARG  14          HH11      ARG  14  11.739   5.651   0.504
  139   HH22  ARG  14          HH12      ARG  14  11.672   6.699   1.881
  140    H1   ACE  15           HA2      ACE  15   3.594   7.261  -3.136
  141    H2   ACE  15           HA3      ACE  15   3.042   6.078  -4.323
  142    H3   ACE  15           HA1      ACE  15   4.318   7.220  -4.744
  Start of MODEL    7
    1    H1   ACE   0           HA2      ACE   0   3.913   2.633  -2.785
    2    H2   ACE   0           HA3      ACE   0   4.283   2.025  -1.171
    3    H3   ACE   0           HA1      ACE   0   3.027   1.254  -2.137
    4    H    GLU   1           HN       GLU   1   6.216   2.343  -3.240
    5    HA   GLU   1           HA       GLU   1   6.753  -0.314  -4.332
    6    HB2  GLU   1           HB2      GLU   1   8.417   2.212  -4.449
    7    HB3  GLU   1           HB1      GLU   1   8.696   0.745  -5.379
    8    HG2  GLU   1           HG2      GLU   1   6.234   2.510  -5.576
    9    HG3  GLU   1           HG1      GLU   1   7.560   2.482  -6.728
   10    H    ARG   2           HN       ARG   2   8.095  -1.765  -3.529
   11    HA   ARG   2           HA       ARG   2   9.092  -1.505  -0.897
   12    HB2  ARG   2           HB2      ARG   2   9.964  -3.719  -1.122
   13    HB3  ARG   2           HB1      ARG   2   8.385  -3.671  -1.880
   14    HG2  ARG   2           HG2      ARG   2  11.045  -3.544  -3.291
   15    HG3  ARG   2           HG1      ARG   2   9.958  -4.919  -3.236
   16    HD2  ARG   2           HD2      ARG   2   8.239  -3.569  -4.438
   17    HD3  ARG   2           HD1      ARG   2   9.424  -2.259  -4.569
   18    HE   ARG   2           HE       ARG   2  10.641  -4.568  -5.392
   19   HH11  ARG   2          HH21      ARG   2   8.081  -2.453  -6.338
   20   HH12  ARG   2          HH22      ARG   2   8.265  -2.749  -8.034
   21   HH21  ARG   2          HH11      ARG   2  10.896  -4.971  -7.634
   22   HH22  ARG   2          HH12      ARG   2   9.857  -4.173  -8.767
   23    H    PHE   3           HN       PHE   3  10.175   0.161  -3.286
   24    HA   PHE   3           HA       PHE   3  12.864  -0.377  -3.721
   25    HB2  PHE   3           HB2      PHE   3  11.560   1.390  -4.860
   26    HB3  PHE   3           HB1      PHE   3  11.493   2.307  -3.368
   27    HD1  PHE   3           HD2      PHE   3  14.792   0.885  -3.503
   28    HD2  PHE   3           HD1      PHE   3  12.341   3.933  -5.288
   29    HE1  PHE   3           HE2      PHE   3  16.807   2.141  -4.110
   30    HE2  PHE   3           HE1      PHE   3  14.383   5.170  -5.935
   31    HZ   PHE   3           HZ       PHE   3  16.615   4.278  -5.346
   32    H    TYR   4           HN       TYR   4  14.360  -0.796  -2.183
   33    HA   TYR   4           HA       TYR   4  14.799   1.175  -0.073
   34    HB2  TYR   4           HB2      TYR   4  14.853  -0.408   1.743
   35    HB3  TYR   4           HB1      TYR   4  13.301  -0.604   0.949
   36    HD1  TYR   4           HD1      TYR   4  16.796  -1.979   0.859
   37    HD2  TYR   4           HD2      TYR   4  12.602  -2.778   0.422
   38    HE1  TYR   4           HE1      TYR   4  17.306  -4.359   0.553
   39    HE2  TYR   4           HE2      TYR   4  13.105  -5.180   0.121
   40    HH   TYR   4           HH       TYR   4  15.727  -6.422  -0.778
   41    H    GLU   5           HN       GLU   5  16.955   0.896   0.858
   42    HA   GLU   5           HA       GLU   5  18.748  -0.908  -0.636
   43    HB2  GLU   5           HB2      GLU   5  19.308   2.047  -0.206
   44    HB3  GLU   5           HB1      GLU   5  20.421   0.876  -0.900
   45    HG2  GLU   5           HG2      GLU   5  17.727   1.637  -2.048
   46    HG3  GLU   5           HG1      GLU   5  19.287   2.181  -2.658
   47    H    LYS   6           HN       LYS   6  19.398  -2.197   1.018
   48    HA   LYS   6           HA       LYS   6  20.664  -0.842   3.270
   49    HB2  LYS   6           HB2      LYS   6  19.468  -2.087   4.947
   50    HB3  LYS   6           HB1      LYS   6  18.424  -1.044   4.020
   51    HG2  LYS   6           HG2      LYS   6  17.341  -3.171   4.528
   52    HG3  LYS   6           HG1      LYS   6  17.536  -2.953   2.797
   53    HD2  LYS   6           HD2      LYS   6  19.414  -4.515   2.775
   54    HD3  LYS   6           HD1      LYS   6  19.367  -4.645   4.536
   55    HE2  LYS   6           HE2      LYS   6  17.090  -5.592   4.361
   56    HE3  LYS   6           HE1      LYS   6  17.165  -5.444   2.606
   57    HZ1  LYS   6           HZ1      LYS   6  19.463  -6.775   3.543
   58    HZ2  LYS   6           HZ2      LYS   6  18.256  -7.348   2.494
   59    HZ3  LYS   6           HZ3      LYS   6  18.088  -7.541   4.173
   60    HAC  4G6   7           HAC      4G6   7  24.748  -5.523   4.887
   61    HAB  4G6   7           HAB      4G6   7  25.895  -4.193   5.175
   62    HAA  4G6   7           HAA      4G6   7  24.560  -4.482   6.318
   63    HAF  4G6   7           HAF      4G6   7  23.776  -3.431   2.325
   64    HAD  4G6   7           HAD      4G6   7  25.311  -4.140   2.884
   65    HAE  4G6   7           HAE      4G6   7  25.037  -2.385   3.015
   66    HAL  4G6   7           HAL      4G6   7  24.288  -1.468   4.764
   67    HAH  4G6   7           HAH      4G6   7  22.352  -4.810   5.182
   68    HAG  4G6   7           HAG      4G6   7  22.590  -4.844   3.417
   69    H    4G6   7           H          4G6   7  21.270  -2.638   4.951
   70    HA   DPR   8           HA       DPR   8  23.523  -0.746   7.853
   71    HB2  DPR   8           HB2      DPR   8  24.991   0.133   6.219
   72    HB3  DPR   8           HB1      DPR   8  23.726   0.117   4.968
   73    HG2  DPR   8           HG2      DPR   8  24.016   1.926   7.327
   74    HG3  DPR   8           HG1      DPR   8  23.551   2.317   5.661
   75    HD2  DPR   8           HD2      DPR   8  21.754   1.864   7.795
   76    HD3  DPR   8           HD1      DPR   8  21.326   1.857   6.069
   77    H    VAL   9           HN       VAL   9  19.076   0.164   4.868
   78    HA   VAL   9           HA       VAL   9  19.566   1.075   7.573
   79    HB   VAL   9           HB       VAL   9  18.648  -0.992   8.668
   80   HG11  VAL   9          HG11      VAL   9  16.446  -0.114   8.884
   81   HG12  VAL   9          HG12      VAL   9  16.473   0.572   7.264
   82   HG13  VAL   9          HG13      VAL   9  17.460   1.283   8.543
   83   HG21  VAL   9          HG21      VAL   9  18.346  -2.527   6.862
   84   HG22  VAL   9          HG22      VAL   9  17.392  -1.357   5.956
   85   HG23  VAL   9          HG23      VAL   9  16.737  -2.088   7.408
   86    H    GLN  10           HN       GLN  10  15.785   2.939   4.951
   87    HA   GLN  10           HA       GLN  10  17.718   1.260   3.519
   88    HB2  GLN  10           HB2      GLN  10  18.312   4.130   4.293
   89    HB3  GLN  10           HB1      GLN  10  19.476   2.981   3.639
   90    HG2  GLN  10           HG2      GLN  10  18.099   2.804   1.565
   91    HG3  GLN  10           HG1      GLN  10  16.992   4.001   2.220
   92   HE21  GLN  10          HE21      GLN  10  17.400   6.055   1.436
   93   HE22  GLN  10          HE22      GLN  10  18.935   6.655   1.029
   94    H    LYS  11           HN       LYS  11  13.101   2.582   1.271
   95    HA   LYS  11           HA       LYS  11  13.834   3.446   3.967
   96    HB2  LYS  11           HB2      LYS  11  12.012   1.820   3.718
   97    HB3  LYS  11           HB1      LYS  11  13.071   0.754   2.827
   98    HG2  LYS  11           HG2      LYS  11  12.834   0.010   5.155
   99    HG3  LYS  11           HG1      LYS  11  14.491   0.431   4.775
  100    HD2  LYS  11           HD2      LYS  11  13.833   1.239   7.010
  101    HD3  LYS  11           HD1      LYS  11  14.238   2.581   5.960
  102    HE2  LYS  11           HE2      LYS  11  12.198   3.020   7.287
  103    HE3  LYS  11           HE1      LYS  11  11.828   3.003   5.571
  104    HZ1  LYS  11           HZ1      LYS  11  11.575   0.590   7.267
  105    HZ2  LYS  11           HZ2      LYS  11  10.894   0.872   5.735
  106    HZ3  LYS  11           HZ3      LYS  11  10.306   1.701   7.095
  107    H    PHE  12           HN       PHE  12  11.218   5.982   0.328
  108    HA   PHE  12           HA       PHE  12  13.321   4.147  -0.439
  109    HB2  PHE  12           HB2      PHE  12  13.452   6.998   0.585
  110    HB3  PHE  12           HB1      PHE  12  14.810   6.100  -0.070
  111    HD1  PHE  12           HD2      PHE  12  12.073   5.045  -2.063
  112    HD2  PHE  12           HD1      PHE  12  14.563   8.489  -1.332
  113    HE1  PHE  12           HE2      PHE  12  11.570   5.903  -4.310
  114    HE2  PHE  12           HE1      PHE  12  14.031   9.334  -3.595
  115    HZ   PHE  12           HZ       PHE  12  12.530   8.040  -5.081
  116    H    ILE  13           HN       ILE  13   8.771   3.482  -1.589
  117    HA   ILE  13           HA       ILE  13   9.150   5.321   0.732
  118    HB   ILE  13           HB       ILE  13   8.726   2.326   0.774
  119   HG12  ILE  13          HG12      ILE  13   6.653   3.556   0.294
  120   HG13  ILE  13          HG11      ILE  13   6.607   2.887   1.922
  121   HG21  ILE  13          HG21      ILE  13  10.180   2.854   2.572
  122   HG22  ILE  13          HG22      ILE  13   8.570   2.809   3.290
  123   HG23  ILE  13          HG23      ILE  13   9.329   4.359   2.924
  124   HD11  ILE  13          HD11      ILE  13   7.577   5.271   2.591
  125   HD12  ILE  13          HD12      ILE  13   5.853   5.053   2.315
  126   HD13  ILE  13          HD13      ILE  13   6.863   5.748   1.053
  127    H    ARG  14           HN       ARG  14   5.898   6.385  -3.613
  128    HA   ARG  14           HA       ARG  14   7.484   4.085  -3.164
  129    HB2  ARG  14           HB2      ARG  14   8.294   6.922  -3.820
  130    HB3  ARG  14           HB1      ARG  14   9.363   5.519  -3.877
  131    HG2  ARG  14           HG2      ARG  14   7.904   4.432  -5.489
  132    HG3  ARG  14           HG1      ARG  14   6.786   5.792  -5.430
  133    HD2  ARG  14           HD2      ARG  14   8.229   5.988  -7.401
  134    HD3  ARG  14           HD1      ARG  14   8.577   7.287  -6.266
  135    HE   ARG  14           HE       ARG  14  10.318   5.139  -5.721
  136   HH11  ARG  14          HH21      ARG  14   9.593   7.463  -8.178
  137   HH12  ARG  14          HH22      ARG  14  11.222   7.565  -8.760
  138   HH21  ARG  14          HH11      ARG  14  12.464   5.267  -6.483
  139   HH22  ARG  14          HH12      ARG  14  12.845   6.322  -7.802
  140    H1   ACE  15           HA2      ACE  15   3.105   5.321  -1.704
  141    H2   ACE  15           HA3      ACE  15   3.318   5.297  -3.455
  142    H3   ACE  15           HA1      ACE  15   3.804   6.716  -2.527
  Start of MODEL    8
    1    H1   ACE   0           HA2      ACE   0   3.300   4.050  -5.559
    2    H2   ACE   0           HA3      ACE   0   4.987   3.725  -5.960
    3    H3   ACE   0           HA1      ACE   0   4.582   4.542  -4.451
    4    H    GLU   1           HN       GLU   1   6.174   2.312  -4.351
    5    HA   GLU   1           HA       GLU   1   4.530   0.511  -2.779
    6    HB2  GLU   1           HB2      GLU   1   5.240  -1.527  -3.916
    7    HB3  GLU   1           HB1      GLU   1   4.340  -0.487  -5.001
    8    HG2  GLU   1           HG2      GLU   1   7.363  -0.639  -4.925
    9    HG3  GLU   1           HG1      GLU   1   6.361  -1.546  -6.045
   10    H    ARG   2           HN       ARG   2   6.616  -1.574  -2.855
   11    HA   ARG   2           HA       ARG   2   8.086  -0.938  -0.613
   12    HB2  ARG   2           HB2      ARG   2   9.104  -2.628  -2.899
   13    HB3  ARG   2           HB1      ARG   2   9.637  -2.695  -1.223
   14    HG2  ARG   2           HG2      ARG   2   7.391  -3.438  -0.539
   15    HG3  ARG   2           HG1      ARG   2   6.868  -3.388  -2.228
   16    HD2  ARG   2           HD2      ARG   2   9.105  -5.089  -1.094
   17    HD3  ARG   2           HD1      ARG   2   7.541  -5.668  -1.672
   18    HE   ARG   2           HE       ARG   2   8.856  -4.157  -3.707
   19   HH11  ARG   2          HH21      ARG   2   8.915  -7.186  -2.016
   20   HH12  ARG   2          HH22      ARG   2   9.753  -8.033  -3.273
   21   HH21  ARG   2          HH11      ARG   2   9.958  -5.269  -5.359
   22   HH22  ARG   2          HH12      ARG   2  10.344  -6.947  -5.167
   23    H    PHE   3           HN       PHE   3  10.243  -0.262  -0.303
   24    HA   PHE   3           HA       PHE   3  11.921   0.462  -2.415
   25    HB2  PHE   3           HB2      PHE   3  10.414   2.230  -2.925
   26    HB3  PHE   3           HB1      PHE   3  10.266   2.710  -1.247
   27    HD1  PHE   3           HD1      PHE   3  12.908   2.211  -3.893
   28    HD2  PHE   3           HD2      PHE   3  11.589   4.431  -0.476
   29    HE1  PHE   3           HE1      PHE   3  14.891   3.695  -4.076
   30    HE2  PHE   3           HE2      PHE   3  13.515   5.900  -0.650
   31    HZ   PHE   3           HZ       PHE   3  15.198   5.558  -2.461
   32    H    TYR   4           HN       TYR   4  13.531  -0.485  -1.113
   33    HA   TYR   4           HA       TYR   4  14.709   1.308   0.839
   34    HB2  TYR   4           HB2      TYR   4  14.766  -0.265   2.680
   35    HB3  TYR   4           HB1      TYR   4  13.089  -0.036   2.206
   36    HD1  TYR   4           HD1      TYR   4  16.030  -2.274   1.583
   37    HD2  TYR   4           HD2      TYR   4  11.755  -1.908   1.742
   38    HE1  TYR   4           HE1      TYR   4  15.828  -4.680   1.147
   39    HE2  TYR   4           HE2      TYR   4  11.545  -4.343   1.339
   40    HH   TYR   4           HH       TYR   4  14.338  -6.324   0.518
   41    H    GLU   5           HN       GLU   5  16.855   0.519   1.515
   42    HA   GLU   5           HA       GLU   5  17.997  -1.460  -0.370
   43    HB2  GLU   5           HB2      GLU   5  18.708   0.809  -1.056
   44    HB3  GLU   5           HB1      GLU   5  19.297   1.107   0.573
   45    HG2  GLU   5           HG2      GLU   5  21.156   0.509  -0.907
   46    HG3  GLU   5           HG1      GLU   5  20.938  -0.714   0.335
   47    H    LYS   6           HN       LYS   6  18.455  -3.185   0.882
   48    HA   LYS   6           HA       LYS   6  19.505  -2.687   3.603
   49    HB2  LYS   6           HB2      LYS   6  17.402  -4.006   3.492
   50    HB3  LYS   6           HB1      LYS   6  18.247  -5.207   2.512
   51    HG2  LYS   6           HG2      LYS   6  19.873  -5.557   4.350
   52    HG3  LYS   6           HG1      LYS   6  19.016  -4.356   5.324
   53    HD2  LYS   6           HD2      LYS   6  16.986  -5.738   5.269
   54    HD3  LYS   6           HD1      LYS   6  17.811  -6.936   4.270
   55    HE2  LYS   6           HE2      LYS   6  17.825  -7.623   6.636
   56    HE3  LYS   6           HE1      LYS   6  19.464  -7.298   6.072
   57    HZ1  LYS   6           HZ1      LYS   6  18.081  -5.004   7.152
   58    HZ2  LYS   6           HZ2      LYS   6  19.670  -5.542   7.420
   59    HZ3  LYS   6           HZ3      LYS   6  18.378  -6.233   8.282
   60    HAC  4G6   7           HAC      4G6   7  25.794  -2.697   0.915
   61    HAB  4G6   7           HAB      4G6   7  25.824  -3.544   2.481
   62    HAA  4G6   7           HAA      4G6   7  25.144  -4.348   1.047
   63    HAF  4G6   7           HAF      4G6   7  23.658  -2.996  -0.241
   64    HAD  4G6   7           HAD      4G6   7  23.191  -1.409   0.422
   65    HAE  4G6   7           HAE      4G6   7  22.125  -2.817   0.643
   66    HAL  4G6   7           HAL      4G6   7  24.176  -0.745   2.232
   67    HAH  4G6   7           HAH      4G6   7  23.575  -4.219   3.517
   68    HAG  4G6   7           HAG      4G6   7  22.978  -4.770   1.940
   69    H    4G6   7           H          4G6   7  21.620  -2.600   3.507
   70    HA   DPR   8           HA       DPR   8  24.802  -0.386   5.610
   71    HB2  DPR   8           HB2      DPR   8  25.801   0.730   3.785
   72    HB3  DPR   8           HB1      DPR   8  24.263   0.825   2.899
   73    HG2  DPR   8           HG2      DPR   8  25.177   2.401   5.259
   74    HG3  DPR   8           HG1      DPR   8  24.205   2.915   3.868
   75    HD2  DPR   8           HD2      DPR   8  23.206   2.097   6.423
   76    HD3  DPR   8           HD1      DPR   8  22.245   2.382   4.954
   77    H    VAL   9           HN       VAL   9  20.053   0.925   3.887
   78    HA   VAL   9           HA       VAL   9  20.891   1.339   6.554
   79    HB   VAL   9           HB       VAL   9  18.822   0.233   7.182
   80   HG11  VAL   9          HG11      VAL   9  19.679  -2.278   5.828
   81   HG12  VAL   9          HG12      VAL   9  18.746  -1.069   4.948
   82   HG13  VAL   9          HG13      VAL   9  18.083  -1.814   6.398
   83   HG21  VAL   9          HG21      VAL   9  21.094  -1.727   7.509
   84   HG22  VAL   9          HG22      VAL   9  19.757  -1.435   8.622
   85   HG23  VAL   9          HG23      VAL   9  21.003  -0.207   8.401
   86    H    GLN  10           HN       GLN  10  17.054   4.051   4.903
   87    HA   GLN  10           HA       GLN  10  17.800   1.781   3.130
   88    HB2  GLN  10           HB2      GLN  10  19.485   4.221   3.771
   89    HB3  GLN  10           HB1      GLN  10  19.924   2.896   2.698
   90    HG2  GLN  10           HG2      GLN  10  17.607   4.806   2.258
   91    HG3  GLN  10           HG1      GLN  10  19.164   4.906   1.449
   92   HE21  GLN  10          HE21      GLN  10  19.128   4.007  -0.598
   93   HE22  GLN  10          HE22      GLN  10  18.126   2.728  -1.089
   94    H    LYS  11           HN       LYS  11  13.254   2.877   3.117
   95    HA   LYS  11           HA       LYS  11  14.777   5.103   3.830
   96    HB2  LYS  11           HB2      LYS  11  15.693   4.422   6.035
   97    HB3  LYS  11           HB1      LYS  11  13.985   4.814   6.111
   98    HG2  LYS  11           HG2      LYS  11  13.403   2.428   5.999
   99    HG3  LYS  11           HG1      LYS  11  15.102   2.006   5.847
  100    HD2  LYS  11           HD2      LYS  11  14.367   1.640   8.145
  101    HD3  LYS  11           HD1      LYS  11  15.529   2.957   8.097
  102    HE2  LYS  11           HE2      LYS  11  13.707   4.600   8.248
  103    HE3  LYS  11           HE1      LYS  11  12.514   3.303   8.208
  104    HZ1  LYS  11           HZ1      LYS  11  12.722   3.547  10.431
  105    HZ2  LYS  11           HZ2      LYS  11  14.308   4.150  10.343
  106    HZ3  LYS  11           HZ3      LYS  11  14.021   2.481  10.203
  107    H    PHE  12           HN       PHE  12  11.166   4.675   1.797
  108    HA   PHE  12           HA       PHE  12  10.139   3.637   4.337
  109    HB2  PHE  12           HB2      PHE  12  12.000   1.968   2.643
  110    HB3  PHE  12           HB1      PHE  12  11.472   1.588   4.270
  111    HD1  PHE  12           HD1      PHE  12  10.129   2.465   0.923
  112    HD2  PHE  12           HD2      PHE  12   9.618   0.173   4.513
  113    HE1  PHE  12           HE1      PHE  12   8.102   1.394  -0.029
  114    HE2  PHE  12           HE2      PHE  12   7.601  -0.907   3.556
  115    HZ   PHE  12           HZ       PHE  12   6.840  -0.294   1.276
  116    H    ILE  13           HN       ILE  13   7.765   3.691   0.016
  117    HA   ILE  13           HA       ILE  13   9.818   5.543   0.363
  118    HB   ILE  13           HB       ILE  13   8.205   7.347   0.420
  119   HG12  ILE  13          HG12      ILE  13   8.780   8.344   2.591
  120   HG13  ILE  13          HG11      ILE  13   9.298   6.778   3.198
  121   HG21  ILE  13          HG21      ILE  13   6.785   7.063   2.837
  122   HG22  ILE  13          HG22      ILE  13   6.649   5.488   2.070
  123   HG23  ILE  13          HG23      ILE  13   6.115   6.929   1.214
  124   HD11  ILE  13          HD11      ILE  13  10.499   7.856   0.653
  125   HD12  ILE  13          HD12      ILE  13  11.194   6.733   1.824
  126   HD13  ILE  13          HD13      ILE  13  11.073   8.448   2.212
  127    H    ARG  14           HN       ARG  14   8.143   2.862  -2.603
  128    HA   ARG  14           HA       ARG  14   6.114   5.018  -2.739
  129    HB2  ARG  14           HB2      ARG  14   5.240   2.832  -1.944
  130    HB3  ARG  14           HB1      ARG  14   6.419   2.867  -0.641
  131    HG2  ARG  14           HG2      ARG  14   5.445   4.966   0.191
  132    HG3  ARG  14           HG1      ARG  14   4.240   4.907  -1.089
  133    HD2  ARG  14           HD2      ARG  14   3.339   3.975   1.003
  134    HD3  ARG  14           HD1      ARG  14   3.451   2.731  -0.243
  135    HE   ARG  14           HE       ARG  14   5.855   2.714   1.225
  136   HH11  ARG  14          HH21      ARG  14   2.468   2.091   1.614
  137   HH12  ARG  14          HH22      ARG  14   2.689   0.868   2.821
  138   HH21  ARG  14          HH11      ARG  14   6.149   1.111   2.813
  139   HH22  ARG  14          HH12      ARG  14   4.773   0.315   3.500
  140    H1   ACE  15           HA2      ACE  15   8.544   1.892  -4.779
  141    H2   ACE  15           HA3      ACE  15   9.679   3.236  -4.899
  142    H3   ACE  15           HA1      ACE  15   8.459   3.002  -6.148
  Start of MODEL    9
    1    H1   ACE   0           HA2      ACE   0   6.446   0.483  -7.401
    2    H2   ACE   0           HA3      ACE   0   8.156   0.759  -7.069
    3    H3   ACE   0           HA1      ACE   0   6.997   2.076  -6.884
    4    H    GLU   1           HN       GLU   1   6.126   2.403  -4.914
    5    HA   GLU   1           HA       GLU   1   5.720   2.176  -2.675
    6    HB2  GLU   1           HB2      GLU   1   5.391  -0.713  -3.488
    7    HB3  GLU   1           HB1      GLU   1   4.827  -0.009  -1.975
    8    HG2  GLU   1           HG2      GLU   1   3.397   1.557  -3.242
    9    HG3  GLU   1           HG1      GLU   1   3.955   0.838  -4.751
   10    H    ARG   2           HN       ARG   2   7.174  -1.030  -3.100
   11    HA   ARG   2           HA       ARG   2   8.907  -0.622  -0.849
   12    HB2  ARG   2           HB2      ARG   2   9.713  -2.897  -1.338
   13    HB3  ARG   2           HB1      ARG   2   7.951  -2.824  -1.312
   14    HG2  ARG   2           HG2      ARG   2   7.912  -2.673  -3.774
   15    HG3  ARG   2           HG1      ARG   2   9.675  -2.741  -3.807
   16    HD2  ARG   2           HD2      ARG   2   7.860  -4.894  -2.686
   17    HD3  ARG   2           HD1      ARG   2   8.679  -4.962  -4.244
   18    HE   ARG   2           HE       ARG   2  10.615  -4.496  -2.257
   19   HH11  ARG   2          HH21      ARG   2   8.362  -6.908  -3.296
   20   HH12  ARG   2          HH22      ARG   2   9.308  -8.239  -2.717
   21   HH21  ARG   2          HH11      ARG   2  11.861  -6.235  -1.495
   22   HH22  ARG   2          HH12      ARG   2  11.289  -7.858  -1.697
   23    H    PHE   3           HN       PHE   3  11.041  -0.311  -0.760
   24    HA   PHE   3           HA       PHE   3  12.953  -0.563  -2.777
   25    HB2  PHE   3           HB2      PHE   3  11.834   1.223  -3.985
   26    HB3  PHE   3           HB1      PHE   3  11.813   2.231  -2.549
   27    HD1  PHE   3           HD1      PHE   3  14.277   0.262  -4.601
   28    HD2  PHE   3           HD2      PHE   3  13.505   3.813  -2.312
   29    HE1  PHE   3           HE1      PHE   3  16.568   1.083  -5.089
   30    HE2  PHE   3           HE2      PHE   3  15.777   4.634  -2.795
   31    HZ   PHE   3           HZ       PHE   3  17.319   3.273  -4.194
   32    H    TYR   4           HN       TYR   4  13.769  -1.389  -0.655
   33    HA   TYR   4           HA       TYR   4  14.947   0.810   0.962
   34    HB2  TYR   4           HB2      TYR   4  14.816  -0.609   2.909
   35    HB3  TYR   4           HB1      TYR   4  13.213  -0.513   2.189
   36    HD1  TYR   4           HD1      TYR   4  16.319  -2.604   2.124
   37    HD2  TYR   4           HD2      TYR   4  12.050  -2.497   1.742
   38    HE1  TYR   4           HE1      TYR   4  16.307  -5.037   1.916
   39    HE2  TYR   4           HE2      TYR   4  12.017  -4.962   1.542
   40    HH   TYR   4           HH       TYR   4  13.235  -6.845   1.718
   41    H    GLU   5           HN       GLU   5  17.032   0.299   1.920
   42    HA   GLU   5           HA       GLU   5  18.518  -1.786   0.399
   43    HB2  GLU   5           HB2      GLU   5  19.010   0.437  -0.543
   44    HB3  GLU   5           HB1      GLU   5  19.489   1.002   1.054
   45    HG2  GLU   5           HG2      GLU   5  21.288  -0.682   1.128
   46    HG3  GLU   5           HG1      GLU   5  20.799  -1.277  -0.458
   47    H    LYS   6           HN       LYS   6  18.822  -3.288   1.954
   48    HA   LYS   6           HA       LYS   6  19.997  -2.416   4.531
   49    HB2  LYS   6           HB2      LYS   6  18.563  -4.997   3.867
   50    HB3  LYS   6           HB1      LYS   6  19.344  -4.642   5.406
   51    HG2  LYS   6           HG2      LYS   6  17.843  -2.710   5.729
   52    HG3  LYS   6           HG1      LYS   6  17.059  -3.066   4.198
   53    HD2  LYS   6           HD2      LYS   6  16.381  -5.280   5.041
   54    HD3  LYS   6           HD1      LYS   6  17.173  -4.932   6.579
   55    HE2  LYS   6           HE2      LYS   6  14.756  -4.496   6.738
   56    HE3  LYS   6           HE1      LYS   6  15.670  -2.996   6.909
   57    HZ1  LYS   6           HZ1      LYS   6  14.934  -3.720   4.199
   58    HZ2  LYS   6           HZ2      LYS   6  14.908  -2.204   4.967
   59    HZ3  LYS   6           HZ3      LYS   6  13.640  -3.306   5.215
   60    HAC  4G6   7           HAC      4G6   7  26.274  -2.995   2.872
   61    HAB  4G6   7           HAB      4G6   7  25.550  -4.336   1.952
   62    HAA  4G6   7           HAA      4G6   7  25.993  -2.824   1.122
   63    HAF  4G6   7           HAF      4G6   7  23.457  -1.496   0.703
   64    HAD  4G6   7           HAD      4G6   7  22.448  -2.906   1.106
   65    HAE  4G6   7           HAE      4G6   7  23.981  -3.129   0.229
   66    HAL  4G6   7           HAL      4G6   7  24.604  -0.601   2.418
   67    HAH  4G6   7           HAH      4G6   7  24.010  -3.908   4.095
   68    HAG  4G6   7           HAG      4G6   7  23.324  -4.623   2.618
   69    H    4G6   7           H          4G6   7  22.039  -2.194   3.784
   70    HA   DPR   8           HA       DPR   8  24.941   0.289   5.601
   71    HB2  DPR   8           HB2      DPR   8  25.927   1.022   3.573
   72    HB3  DPR   8           HB1      DPR   8  24.359   1.031   2.731
   73    HG2  DPR   8           HG2      DPR   8  25.377   2.893   4.834
   74    HG3  DPR   8           HG1      DPR   8  24.462   3.257   3.359
   75    HD2  DPR   8           HD2      DPR   8  23.347   2.922   5.946
   76    HD3  DPR   8           HD1      DPR   8  22.444   2.922   4.419
   77    H    VAL   9           HN       VAL   9  19.756   0.941   3.918
   78    HA   VAL   9           HA       VAL   9  21.049   2.275   6.162
   79    HB   VAL   9           HB       VAL   9  19.083   1.370   7.234
   80   HG11  VAL   9          HG11      VAL   9  18.305  -0.807   7.030
   81   HG12  VAL   9          HG12      VAL   9  19.886  -1.456   6.615
   82   HG13  VAL   9          HG13      VAL   9  18.956  -0.557   5.414
   83   HG21  VAL   9          HG21      VAL   9  20.185   0.147   8.987
   84   HG22  VAL   9          HG22      VAL   9  21.362   1.293   8.344
   85   HG23  VAL   9          HG23      VAL   9  21.445  -0.408   7.886
   86    H    GLN  10           HN       GLN  10  16.557   2.935   4.927
   87    HA   GLN  10           HA       GLN  10  18.164   1.965   2.792
   88    HB2  GLN  10           HB2      GLN  10  17.549   4.195   1.865
   89    HB3  GLN  10           HB1      GLN  10  18.202   4.965   3.300
   90    HG2  GLN  10           HG2      GLN  10  19.841   3.265   1.406
   91    HG3  GLN  10           HG1      GLN  10  19.715   5.008   1.286
   92   HE21  GLN  10          HE21      GLN  10  19.670   4.687   4.530
   93   HE22  GLN  10          HE22      GLN  10  21.336   4.676   4.856
   94    H    LYS  11           HN       LYS  11  13.257   1.827   2.316
   95    HA   LYS  11           HA       LYS  11  14.142   3.882   4.257
   96    HB2  LYS  11           HB2      LYS  11  14.425   0.902   4.708
   97    HB3  LYS  11           HB1      LYS  11  15.158   2.158   5.701
   98    HG2  LYS  11           HG2      LYS  11  12.910   3.039   6.242
   99    HG3  LYS  11           HG1      LYS  11  12.184   1.760   5.266
  100    HD2  LYS  11           HD2      LYS  11  13.208   0.054   6.714
  101    HD3  LYS  11           HD1      LYS  11  13.946   1.323   7.692
  102    HE2  LYS  11           HE2      LYS  11  11.875   0.513   8.748
  103    HE3  LYS  11           HE1      LYS  11  11.704   2.196   8.250
  104    HZ1  LYS  11           HZ1      LYS  11   9.817   0.650   7.663
  105    HZ2  LYS  11           HZ2      LYS  11  10.862  -0.058   6.525
  106    HZ3  LYS  11           HZ3      LYS  11  10.441   1.583   6.391
  107    H    PHE  12           HN       PHE  12   9.947   4.632   1.989
  108    HA   PHE  12           HA       PHE  12  10.457   1.808   2.595
  109    HB2  PHE  12           HB2      PHE  12  12.222   1.725   0.923
  110    HB3  PHE  12           HB1      PHE  12  10.624   1.891   0.220
  111    HD1  PHE  12           HD1      PHE  12  13.527   4.060   1.350
  112    HD2  PHE  12           HD2      PHE  12  10.248   3.550  -1.359
  113    HE1  PHE  12           HE1      PHE  12  14.140   6.139   0.233
  114    HE2  PHE  12           HE2      PHE  12  10.911   5.626  -2.519
  115    HZ   PHE  12           HZ       PHE  12  12.842   6.936  -1.723
  116    H    ILE  13           HN       ILE  13   7.668   3.867  -0.276
  117    HA   ILE  13           HA       ILE  13   7.695   5.207   2.273
  118    HB   ILE  13           HB       ILE  13   5.839   2.815   1.927
  119   HG12  ILE  13          HG12      ILE  13   4.701   4.938   1.275
  120   HG13  ILE  13          HG11      ILE  13   4.021   4.240   2.729
  121   HG21  ILE  13          HG21      ILE  13   6.830   4.296   4.365
  122   HG22  ILE  13          HG22      ILE  13   6.982   2.578   3.997
  123   HG23  ILE  13          HG23      ILE  13   5.405   3.257   4.402
  124   HD11  ILE  13          HD11      ILE  13   6.077   6.002   3.616
  125   HD12  ILE  13          HD12      ILE  13   4.342   6.192   3.783
  126   HD13  ILE  13          HD13      ILE  13   5.160   6.867   2.386
  127    H    ARG  14           HN       ARG  14   5.282   7.049  -1.953
  128    HA   ARG  14           HA       ARG  14   6.734   4.501  -2.001
  129    HB2  ARG  14           HB2      ARG  14   8.084   7.194  -1.878
  130    HB3  ARG  14           HB1      ARG  14   8.875   5.658  -1.574
  131    HG2  ARG  14           HG2      ARG  14   7.532   6.400  -4.170
  132    HG3  ARG  14           HG1      ARG  14   9.253   6.554  -3.873
  133    HD2  ARG  14           HD2      ARG  14   9.349   4.087  -3.448
  134    HD3  ARG  14           HD1      ARG  14   7.654   3.974  -3.893
  135    HE   ARG  14           HE       ARG  14   8.999   5.266  -5.975
  136   HH11  ARG  14          HH21      ARG  14   8.871   2.223  -4.351
  137   HH12  ARG  14          HH22      ARG  14   9.266   1.294  -5.758
  138   HH21  ARG  14          HH11      ARG  14   9.511   4.061  -7.836
  139   HH22  ARG  14          HH12      ARG  14   9.624   2.336  -7.736
  140    H1   ACE  15           HA2      ACE  15   2.974   6.256  -3.537
  141    H2   ACE  15           HA3      ACE  15   3.810   6.388  -5.084
  142    H3   ACE  15           HA1      ACE  15   4.063   7.611  -3.838
  Start of MODEL   10
    1    H1   ACE   0           HA2      ACE   0   8.882   1.829  -5.652
    2    H2   ACE   0           HA3      ACE   0   7.192   1.488  -6.021
    3    H3   ACE   0           HA1      ACE   0   8.284   0.171  -5.593
    4    H    GLU   1           HN       GLU   1   5.789   0.835  -4.294
    5    HA   GLU   1           HA       GLU   1   5.867   2.313  -1.989
    6    HB2  GLU   1           HB2      GLU   1   4.217   0.742  -1.070
    7    HB3  GLU   1           HB1      GLU   1   3.870   1.133  -2.754
    8    HG2  GLU   1           HG2      GLU   1   4.985  -0.963  -3.462
    9    HG3  GLU   1           HG1      GLU   1   5.297  -1.357  -1.773
   10    H    ARG   2           HN       ARG   2   7.345  -0.818  -2.585
   11    HA   ARG   2           HA       ARG   2   8.276  -1.011   0.199
   12    HB2  ARG   2           HB2      ARG   2   9.018  -3.273  -0.459
   13    HB3  ARG   2           HB1      ARG   2   7.298  -3.024  -0.762
   14    HG2  ARG   2           HG2      ARG   2   7.754  -2.573  -3.131
   15    HG3  ARG   2           HG1      ARG   2   9.486  -2.740  -2.852
   16    HD2  ARG   2           HD2      ARG   2   7.436  -4.919  -2.388
   17    HD3  ARG   2           HD1      ARG   2   8.507  -4.812  -3.784
   18    HE   ARG   2           HE       ARG   2  10.095  -4.698  -1.471
   19   HH11  ARG   2          HH21      ARG   2   7.981  -6.862  -3.158
   20   HH12  ARG   2          HH22      ARG   2   8.796  -8.295  -2.625
   21   HH21  ARG   2          HH11      ARG   2  11.169  -6.574  -0.772
   22   HH22  ARG   2          HH12      ARG   2  10.602  -8.132  -1.274
   23    H    PHE   3           HN       PHE   3   9.451   0.943  -1.833
   24    HA   PHE   3           HA       PHE   3  11.953  -0.038  -2.673
   25    HB2  PHE   3           HB2      PHE   3  11.086   2.114  -3.503
   26    HB3  PHE   3           HB1      PHE   3  11.249   2.811  -1.888
   27    HD1  PHE   3           HD1      PHE   3  13.314   0.854  -4.355
   28    HD2  PHE   3           HD2      PHE   3  13.223   3.984  -1.415
   29    HE1  PHE   3           HE1      PHE   3  15.720   1.304  -4.750
   30    HE2  PHE   3           HE2      PHE   3  15.624   4.439  -1.812
   31    HZ   PHE   3           HZ       PHE   3  16.874   3.099  -3.488
   32    H    TYR   4           HN       TYR   4  13.749  -0.552  -1.597
   33    HA   TYR   4           HA       TYR   4  14.456   0.830   0.863
   34    HB2  TYR   4           HB2      TYR   4  14.582  -1.118   2.263
   35    HB3  TYR   4           HB1      TYR   4  12.966  -1.119   1.570
   36    HD1  TYR   4           HD1      TYR   4  16.400  -2.480   1.019
   37    HD2  TYR   4           HD2      TYR   4  12.180  -3.039   0.466
   38    HE1  TYR   4           HE1      TYR   4  16.846  -4.700   0.085
   39    HE2  TYR   4           HE2      TYR   4  12.613  -5.296  -0.456
   40    HH   TYR   4           HH       TYR   4  15.735  -6.794  -0.285
   41    H    GLU   5           HN       GLU   5  16.689   0.211   1.485
   42    HA   GLU   5           HA       GLU   5  18.191  -1.211  -0.623
   43    HB2  GLU   5           HB2      GLU   5  18.275   1.295  -1.061
   44    HB3  GLU   5           HB1      GLU   5  19.054   1.472   0.505
   45    HG2  GLU   5           HG2      GLU   5  20.098  -0.187  -1.804
   46    HG3  GLU   5           HG1      GLU   5  20.722   1.382  -1.309
   47    H    LYS   6           HN       LYS   6  19.005  -2.864   0.550
   48    HA   LYS   6           HA       LYS   6  19.804  -2.360   3.358
   49    HB2  LYS   6           HB2      LYS   6  17.957  -4.003   2.842
   50    HB3  LYS   6           HB1      LYS   6  19.147  -4.982   2.007
   51    HG2  LYS   6           HG2      LYS   6  19.180  -4.275   4.963
   52    HG3  LYS   6           HG1      LYS   6  18.713  -5.821   4.283
   53    HD2  LYS   6           HD2      LYS   6  21.054  -6.061   3.371
   54    HD3  LYS   6           HD1      LYS   6  21.480  -4.595   4.251
   55    HE2  LYS   6           HE2      LYS   6  20.355  -7.082   5.528
   56    HE3  LYS   6           HE1      LYS   6  22.046  -6.584   5.569
   57    HZ1  LYS   6           HZ1      LYS   6  19.712  -5.233   6.784
   58    HZ2  LYS   6           HZ2      LYS   6  21.193  -4.435   6.548
   59    HZ3  LYS   6           HZ3      LYS   6  21.113  -5.804   7.552
   60    HAC  4G6   7           HAC      4G6   7  26.385  -1.402   1.651
   61    HAB  4G6   7           HAB      4G6   7  26.188  -2.190   3.236
   62    HAA  4G6   7           HAA      4G6   7  26.028  -3.143   1.742
   63    HAF  4G6   7           HAF      4G6   7  24.784  -1.809   0.059
   64    HAD  4G6   7           HAD      4G6   7  23.456  -0.735   0.565
   65    HAE  4G6   7           HAE      4G6   7  23.191  -2.490   0.458
   66    HAL  4G6   7           HAL      4G6   7  24.021   0.231   2.396
   67    HAH  4G6   7           HAH      4G6   7  24.052  -3.327   3.724
   68    HAG  4G6   7           HAG      4G6   7  23.707  -3.912   2.086
   69    H    4G6   7           H          4G6   7  21.890  -2.149   3.684
   70    HA   DPR   8           HA       DPR   8  24.371   0.867   5.742
   71    HB2  DPR   8           HB2      DPR   8  25.035   2.123   3.854
   72    HB3  DPR   8           HB1      DPR   8  23.519   1.769   2.994
   73    HG2  DPR   8           HG2      DPR   8  24.008   3.651   5.248
   74    HG3  DPR   8           HG1      DPR   8  22.861   3.776   3.902
   75    HD2  DPR   8           HD2      DPR   8  22.331   2.769   6.567
   76    HD3  DPR   8           HD1      DPR   8  21.204   2.847   5.197
   77    H    VAL   9           HN       VAL   9  18.935   0.454   4.109
   78    HA   VAL   9           HA       VAL   9  20.125   1.458   6.642
   79    HB   VAL   9           HB       VAL   9  18.359  -0.117   7.156
   80   HG11  VAL   9          HG11      VAL   9  18.556  -1.286   4.885
   81   HG12  VAL   9          HG12      VAL   9  18.178  -2.279   6.289
   82   HG13  VAL   9          HG13      VAL   9  19.811  -2.256   5.651
   83   HG21  VAL   9          HG21      VAL   9  20.973  -1.588   7.458
   84   HG22  VAL   9          HG22      VAL   9  19.608  -1.558   8.572
   85   HG23  VAL   9          HG23      VAL   9  20.615  -0.124   8.375
   86    H    GLN  10           HN       GLN  10  16.003   3.517   4.495
   87    HA   GLN  10           HA       GLN  10  17.841   1.892   2.833
   88    HB2  GLN  10           HB2      GLN  10  17.475   4.245   2.172
   89    HB3  GLN  10           HB1      GLN  10  17.986   4.773   3.771
   90    HG2  GLN  10           HG2      GLN  10  20.210   3.781   3.376
   91    HG3  GLN  10           HG1      GLN  10  19.691   3.268   1.778
   92   HE21  GLN  10          HE21      GLN  10  21.381   5.698   3.305
   93   HE22  GLN  10          HE22      GLN  10  21.141   6.943   2.176
   94    H    LYS  11           HN       LYS  11  13.563   2.698   2.044
   95    HA   LYS  11           HA       LYS  11  13.990   2.734   4.910
   96    HB2  LYS  11           HB2      LYS  11  13.086   0.273   3.395
   97    HB3  LYS  11           HB1      LYS  11  13.837   0.188   4.977
   98    HG2  LYS  11           HG2      LYS  11  11.402   1.894   4.590
   99    HG3  LYS  11           HG1      LYS  11  11.206   0.162   4.738
  100    HD2  LYS  11           HD2      LYS  11  10.896   1.315   6.902
  101    HD3  LYS  11           HD1      LYS  11  12.233   0.190   6.950
  102    HE2  LYS  11           HE2      LYS  11  12.685   2.289   8.157
  103    HE3  LYS  11           HE1      LYS  11  13.829   2.031   6.859
  104    HZ1  LYS  11           HZ1      LYS  11  13.220   4.003   6.053
  105    HZ2  LYS  11           HZ2      LYS  11  12.064   4.181   7.285
  106    HZ3  LYS  11           HZ3      LYS  11  11.643   3.428   5.821
  107    H    PHE  12           HN       PHE  12  10.294   3.439   0.993
  108    HA   PHE  12           HA       PHE  12  12.507   4.147   1.093
  109    HB2  PHE  12           HB2      PHE  12  11.566   6.455   2.817
  110    HB3  PHE  12           HB1      PHE  12  13.211   6.160   2.337
  111    HD1  PHE  12           HD2      PHE  12  11.448   5.165  -0.538
  112    HD2  PHE  12           HD1      PHE  12  12.415   8.695   1.736
  113    HE1  PHE  12           HE2      PHE  12  11.221   6.547  -2.563
  114    HE2  PHE  12           HE1      PHE  12  12.159  10.064  -0.308
  115    HZ   PHE  12           HZ       PHE  12  11.559   8.992  -2.453
  116    H    ILE  13           HN       ILE  13   8.460   3.399  -0.306
  117    HA   ILE  13           HA       ILE  13   7.327   5.106   1.816
  118    HB   ILE  13           HB       ILE  13   6.754   2.704   1.777
  119   HG12  ILE  13          HG12      ILE  13   6.778   3.848   3.967
  120   HG13  ILE  13          HG11      ILE  13   7.247   2.164   4.119
  121   HG21  ILE  13          HG21      ILE  13   8.367   0.992   2.028
  122   HG22  ILE  13          HG22      ILE  13   9.641   2.133   2.450
  123   HG23  ILE  13          HG23      ILE  13   9.025   2.072   0.800
  124   HD11  ILE  13          HD11      ILE  13   8.870   3.111   5.430
  125   HD12  ILE  13          HD12      ILE  13   8.860   4.629   4.546
  126   HD13  ILE  13          HD13      ILE  13   9.696   3.229   3.885
  127    H    ARG  14           HN       ARG  14   6.192   6.287  -2.769
  128    HA   ARG  14           HA       ARG  14   7.584   3.724  -2.307
  129    HB2  ARG  14           HB2      ARG  14   8.905   6.383  -2.726
  130    HB3  ARG  14           HB1      ARG  14   9.708   4.885  -2.230
  131    HG2  ARG  14           HG2      ARG  14   8.957   3.777  -4.268
  132    HG3  ARG  14           HG1      ARG  14   8.125   5.244  -4.784
  133    HD2  ARG  14           HD2      ARG  14  11.106   4.974  -4.301
  134    HD3  ARG  14           HD1      ARG  14  10.326   5.066  -5.880
  135    HE   ARG  14           HE       ARG  14  10.948   7.262  -4.183
  136   HH11  ARG  14          HH21      ARG  14   8.574   6.044  -6.390
  137   HH12  ARG  14          HH22      ARG  14   7.957   7.610  -6.799
  138   HH21  ARG  14          HH11      ARG  14  10.145   9.311  -4.719
  139   HH22  ARG  14          HH12      ARG  14   8.846   9.457  -5.855
  140    H1   ACE  15           HA2      ACE  15   4.380   6.277  -3.971
  141    H2   ACE  15           HA3      ACE  15   3.692   4.723  -4.438
  142    H3   ACE  15           HA1      ACE  15   4.829   5.542  -5.510